![C9H10N2O5 6H-Furo [2 ', 3': 4,5] Oxazolo [3,2-A] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (Hydroxymethyl)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-Furo [2 ', 3': 4,5] Oxazolo [3,2-A] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl)](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-Furo [2 ', 3': 4,5] Oxazolo [3,2-A] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (Hydroxymethyl)
Nombor pendaftaran CAS
3736-77-4
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 226.19 | - |
| Titik lebur (eksperimen) | 234-235 ° C. | - |
| Titik mendidih (diramalkan) | 456.3 ± 55.0 ° C. | Tekan: 760 Torr |
| Ketumpatan (diramalkan) | 2.01 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 12.55 ± 0.40 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik
O = C1N = C2OC3C (O) C (OC3N2C = C1) CO
Tersenyum isomerik
O [c@h] 1 [c@] 2 ([c@] (n3c (o2) = nc (= o) c = c3) (o [c @@ h] 1co) [h]) [h]
Inchi
Inchi = 1S/C9H10N2O5/C12-3-4-6 (14) 7-8 (15-4) 11-2-1-5 (13) 10-9 (11) 16-7/H1-2,4,6-8,12,14h, 3H2/T4-, 6-, 7+, 8-/S1/S1
Kunci Inchi
Uugitdaswnoagg-ccxzuqquSa-n
13 nama lain untuk bahan ini
(2r, 3 r, 3as, 9ar) -2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -6h-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one (aci); 6H-Furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-(6ci, 7ci); 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) 6H-Furo [2 ', 3': 4,5] Oxazolo [3,2-A]
pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, stereoisomer (8ci); 2,2 '-anhydro (1- β -d -arabinofuranosyl) uracil; 2,2 '-anhydro-1- β -d-arabino-furanosyluracil; 2,2 '-anhydro-n1- (β -d-arabinofuranosyl) uracil; 2,2 '-anhydrouridine; 2,2 '-o -cyclouridine; NSC 157148; O2,2 '-anhydrouridine; O2,2 '-cyclouridine; β -D-2 ', 2-o-sikloarabinouridine
Hartanah tersedia
Optik dan penyebaran
Haba
| Harta | Nilai | Keadaan | Sumber |
| Kuasa rotator optik | -19 deg | Pelarut: metanol; λ: 589.3 nm; Temp: 26 ° C. | (1) Cas |
(1) Codington, John F.; Jurnal American Chemical Society, (1961), 83, 5030-1, Caplus
| Harta | Nilai | Keadaan | Sumber |
| Titik lebur | 250-253 ° C. | (1) Cas | |
| Titik lebur | 246 ° C. | Pelarut: etanol; Isopropanol | (2) Cas |
| Titik lebur | 242-245 ° C. | (3) Cas | |
| Titik lebur | 242-243 ° C. | (4) Cas | |
| Titik lebur | 236-238 ° C (Decomp) | (5) Cas | |
| Titik lebur | 234 ° C. | (6) Cas | |
| Titik lebur | 234-235 ° C. | (7) Cas | |
| Titik lebur | 233-234 ° C (Decomp) | Pelarut: Methanol | (8) Cas |
| Titik lebur | Lihat teks penuh | (9) Cas |
(1) Lin, Kun-i.; Jurnal Persatuan Kimia Cina (Taipei, Taiwan), (2007), 54 (2), 563-568, Caplus
(2) Takatsuki, Ken-ichi; Nukleosida, nukleotida & asid nukleik, (2006), 25 (7), 719-734, Caplus
(3) WNUK, Stanislaw F.; Jurnal Kimia Organik, (2002), 67 (6), 1816-1819, Caplus
(4) Szlenkier, Maurycy; Nukleosida, nukleotida & asid nukleik, (2016), 35 (8), 410-425, Caplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, Caplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59 (23), 4047-4057, Caplus
(7) Brown, DM; Jurnal Persatuan Kimia, (1958), 3035-8, Caplus
(8) li, heting; Komunikasi Sintetik, (2006), 36 (14), 1933-1940, Caplus
(9) Codington, John F.; Jurnal American Chemical Society, (1961), 83, 5030-1, Caplus
Spektrum tersedia
1 h nmr
13 C NMR
IR
Spektrum tersedia
Massa
Hartanah tersedia
Biologi
Kimia
Ketumpatan
Lipinski
Struktur berkaitan
Haba
| 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)
| Harta | Nilai | Keadaan | Sumber |
| KOC | 7.66 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | pH 8; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 7.66 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 7.64 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.906 ± 0.555 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 4.7 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.7 g/l | Air yang tidak disengajakan pH 6.91; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 0.021 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 0.021 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.021 mol/l | Air yang tidak disengajakan pH 6.91; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 226.19 | ||
| PKA | 12.55 ± 0.40 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | -4.68 ± 0.60 | Tempatan paling asas: 25 ° C | (1) ACD |
| Tekanan wap | 3.04 x 10-10 Torr | Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 2.01 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 112.3 ± 7.0 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)
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 3 | (1) ACD | |
| H penerima | 7 | (1) ACD | |
| H penderma | 2 | (1) ACD | |
| H penderma/penerima jumlah | 9 | (1) ACD | |
| logp | -0.906 ± 0.555 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 226.19 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Kawasan permukaan kutub | 91.6 A2 | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Titik mendidih | 456.3 ± 55.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Entalpi pengewapan | 82.62 ± 6.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik kilat | 229.8 ± 31.5 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 h nmr
13 C NMR
| Sumber Penyata Hazard Kod | |
| H302 berbahaya jika ditelan | Klasifikasi & Pelabelan Agensi Kimia Eropah (ECHA) Inventori - Klasifikasi dan Pelabelan Diberatkan - Pemberitahuan yang paling biasa, Agensi Kimia Eropah (ECHA) Klasifikasi & Pelabelan Inventori - Klasifikasi dan Pelabelan Diberatkan - Pemberitahuan yang paling serius |
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![C10H12N2O5 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
