![C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-etil-7,8-dihydro-4- Hydroxy-, (4s)-(9ci, aci) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-etil-7,8-dihydro-4- Hydroxy-, (4s)-(9ci, aci) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-etil-7,8-dihydro-4- Hydroxy-, (4s)-(9ci, aci) H319, H302
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 263.25 | - |
| Titik lebur (eksperimen) | 177.1-178.3 ° C. | - |
| Titik mendidih (diramalkan) | 666.6 ± 55.0 ° C. | Tekan: 760 Torr |
| Ketumpatan (diramalkan) | 1.50 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 11.20 ± 0.20 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik o = c1c2 = c (c = c3c (= o) ccn13) c (o) (c (= o) oc2) cc
Isomerik tersenyum c (c) [c@] 1 (o) c2 = c (c (= o) n3c (= c2) c (= o) cc3) coc1 = o
Inchi
Inchi = 1S/C13H13NO5/C1-2-13 (18) 8-5-9-10 (15) 3-4-14 (9) 11 (16) 7 (8) 6-19-12 (13) 17/H5,18H, 2-4,6H2,1H3/T13-/S1
Kunci Inchi
Igkwogmvaoyvsj-zdusscgksa-n
5 nama lain untuk bahan ini
(4S) -4-Ethyl-7,8-Dihydro-4-Hydroxy-1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione (ACI); 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4- Ethyl-7,8-dihydro-4-hydroxy-, (s)-(ZCI); (4S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) Trione; (4s) -4-etil-4-
Hydroxy-7,8-Dihydro-1H-Pyrano [3,4-F] Indolizine-3,6,10-trione; (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione
| Hartanah tersedia |
| Optik dan penyebaran |
| Haba |
Optik dan penyebaran
| Harta | Nilai | Keadaan | Sumber |
| Kuasa rotator optik | +120.6 deg | C: 0.62 g/100ml; Pelarut: kloroform | (1) IC |
| Kuasa rotator optik | +120.57 deg | C: 0.62 g/100ml; Pelarut: kloroform; Temp: 20 ° C. | (2) IC |
| Kuasa rotator optik | +119.57 deg | C: 1.0 g/100ml; Pelarut: kloroform; λ: 589.3 nm; Temp: 25 ° C. | (3) Cas |
| Kuasa rotator optik | +119.57 darjah · ml/g · dm | C: 1.0 g/100ml; Pelarut: kloroform; λ: garis natrium D; Temp: 25 ° C. | (4) Cas |
| Kuasa rotator optik | +117.6 deg | C: 0.56 g/100ml; Pelarut: kloroform; Temp: 23 ° C. | (5) IC |
| Kuasa rotator optik | +116.14 darjah · ml/g · dm | C: 1.0 g/100ml; Pelarut: kloroform; λ: garis natrium D; Temp: 26 ° C. | (4) Cas |
| Kuasa rotator optik | +96 deg | C: 0.40 g/100ml; Temp: 21 ° C. | (6) IC |
| Kuasa rotator optik | +77.8 deg | C: 0.62 g/100ml; Pelarut: kloroform; λ: 589.3 nm; Temp: 25 ° C. | (7) Cas |
(1) Terasawa, Hirofumi; Buletin Kimia & Farmaseutikal, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) Henegar, Kevin E.; Jurnal Kimia Organik, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Kimia - Jurnal Asia, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Jurnal Masyarakat Kimia, Perkolan Perkin 1: Kimia Organik dan Bio-Organik (1972-1999), (1990) (1), 27-31, Caplus
(6) Wani, Mansukh C.; Jurnal Kimia Perubatan, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
Haba
| Harta | Nilai | Keadaan | Sumber | |
| Titik lebur | 183-185 ° C (Decomp) | (1) Cas | ||
| Titik lebur | 177.1-178.3 ° C. | (2) Cas | ||
| Titik lebur | 176-177 ° C (Decomp) | (3) IC | ||
| Titik lebur | 169-170 ° C. | Pelarut: | Etil asetat | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin E.; Jurnal Kimia Organik, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Jurnal Masyarakat Kimia, Perkolan Perkin 1: Kimia Organik dan Bio-Organik (1972-1999), (1990) (1), 27-31, Caplus
(4) Wani, Mansukh C.; Jurnal Kimia Perubatan, (1987), 30 (12), 2317-19, Caplus
Spektrum tersedia
1H NMR
Massa
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
| Haba |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Keadaan | Sumber |
| KOC | 7.37 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 7.37 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 7.37 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 7.37 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 7.37 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 7.37 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 7.37 | pH 7; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 7.37 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 7.33 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 6.94 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -0.96 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.936 ± 0.842 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 371 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 392 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 371 g/l | Air yang tidak disengajakan pH 5.53; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.41 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber | |
| Kelarutan molar | 1.41 mol/l | pH 6; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.41 mol/l | pH 7; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.41 mol/l | pH 8; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.41 mol/l | pH 9; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.49 mol/l | pH 10; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.41 mol/l | Air yang tidak disengajakan pH 5.53; Temp: 25 ° C. | (1) ACD | |
| Berat molekul | 263.25 | |||
| PKA | 11.20 ± 0.20 | Tempatan yang paling berasid: 25 ° C | (1) ACD | |
| PKA | -2.24 ± 0.40 | Tempatan paling asas: 25 ° C | (1) ACD | |
| Tekanan wap | 1.29 x 10-20 | Torr | Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.50 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 174.8 ± 5.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 2 | (1) ACD | |
| H penerima | 6 | (1) ACD | |
| H penderma | 1 | (1) ACD | |
| H penderma/penerima jumlah | 7 | (1) ACD | |
| logp | -0.936 ± 0.842 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 263.25 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 83.9 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Haba
| Harta | Nilai | Keadaan | Sumber |
| Titik mendidih | 666.6 ± 55.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi pengewapan | 112.17 ± 6.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik kilat | 357.0 ± 31.5 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
| Kod | Penyata bahaya | Sumber |
| H319 | Menyebabkan kerengsaan mata yang serius | Agensi Kimia Eropah (ECHA) Klasifikasi & Pelabelan Inventori - Klasifikasi dan Pelabel |
| H302 | Berbahaya jika ditelan | Agensi Kimia Eropah (ECHA) Klasifikasi & Pelabelan Inventori - Klasifikasi dan Pelabel |
Maklumat Perniagaan Rahsia: Awam
| Sinonim pengawalseliaan | ||
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyranno (3,4-F) Indolizine-3,6,10 (4H) -trione | - | Perancis |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyranno [3,4-F] Indolizine-3,6,10 (4H) -trione | - | Perancis |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyrano (3,4-F) Indolizin-3,6,10 (4H) -trion | - | Denmark, Jerman |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyrano (3,4-F) Indolizine-3,6,10 (4H) -trion | - | Belanda |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyrano [3,4-F] Indolizin-3,6,10 (4H) -trion | - | Denmark, Jerman |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trion | - | Belanda |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione | - | - |
| (S) -4-ETIL-4-HIDROXI-7,8-DIHIDRO-1H-PIRANO (3,4-F) Indolizina-3,6,10 (4H) -triona | - | Portugis, Sepanyol |
| (S) -4-ETIL-4-HIDROXI-7,8-DIHIDRO-1H-PIRANO [3,4-F] Indolizina-3,6,10 (4H) -triona | - | Portugis, Sepanyol |
| (S) -4-ETIL-4-IDROSSI-7,8-diidro-1H-irano (3,4-F) Indolizin-3,6,10 (4H) -trione | - | Bahasa Itali |
| (S) -4-ETIL-4-IDROSSI-7,8-diidro-1H-irano [3,4-F] Indolizin-3,6,10 (4H) -trione | - | Bahasa Itali |
| (S) -4-ETYL-4-HYDROXI-7,8-dihydro-1H-Pyrano (3,4-F) Indolizin-3,6,10 (4H) -trion | - | Sweden |
| (S) -4-ETYL-4-HYDROXI-7,8-DIHYDRO-1H-PYRANO [3,4-F] Indolizin-3,6,10 (4H) -trion | - | Sweden |
| (S) -4-ETYYLI-4-HYDROKSI-7,8-Dihydro-1H-Pyrano (3,4-F) Indolitsiini-3,6,10 (4H) -trioni | - | Finland |
| (S) -4-ETYYLI-4-HYDROKSI-7,8-Dihydro-1H-Pyrano [3,4-F] Indolitsiini-3,6,10 (4H) -trioni | - | Finland |
Perincian mengikut negara/antarabangsa & senarai lain
Kod tarif yang harmoni: 293499 maklumat negara/wilayah yang ada
Ringkasan Kesatuan Eropah
Bendera EU
Kod Kastam EU CN: 29349990
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