![C31H30N2O7 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2-[bis (4-methoxy phenyl) fenilmethoxy] (2r, 3r, 3as, 9ar)- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2-[bis (4-methoxy phenyl) fenilmethoxy] (2r, 3r, 3as, 9ar)- (9ci, aci) gambar yang dipaparkan](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2-[bis (4-methoxy phenyl) fenilmethoxy] (2r, 3r, 3as, 9ar)- (9ci, aci)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 542.58 | - |
| Titik mendidih (diramalkan) | 692.9 ± 65.0 ° C. | Tekan: 760 Torr |
| Ketumpatan (diramalkan) | 1.33 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 12.51 ± 0.60 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1N = C2OC3C (O) C (OC3N2C = C1C) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6
Isomerik Smiles C (OC [C@H] 1O [C @@] 2 ([C@] ([C @@ H] 1O) (OC = 3N2C = C (C) C (= O) N3) [H]) [H])
Inchi
Inchi = 1s/c31h30n2o7/c1-19-17-33-29-27 (40-30 (33) 32-28 (19) 35) 26 (34) 25 (39-29) 18-38-31 (20-7-5-4-6-8-8-8-8-8-8-8-8-8-8-8-8-8-30-20-20
) 22-11-15-24 (37-3) 16-12-22/H4-17,25-27,29,34H, 18H2,1-3H3/T25-, 26-, 27+, 29-/m1/s1
Kunci Inchi
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 nama lain untuk bahan ini
(2r, 3r, 3as, 9ar) -2-[[bis (4-methoxyphenyl) phenylmethoxy] methyl] -2,3,3a, 9a-tetrahydro-3-hydroxy-7-methyl-6h-furo [2 ', 3': 4,5] (3 '
Spektrum tersedia
1H NMR
13C NMR
Massa
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
| Haba |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 2800 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2800 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2800 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2800 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2800 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2800 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2800 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2800 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2790 | 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 | 10200 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 5; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 10200 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.839 ± 0.618 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 3.6 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-4 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 6.6 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.7 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 542.58 | ||
| PKA | 12.51 ± 0.60 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | -4.38 ± 0.60 | Tempatan paling asas: 25 ° C | (1) ACD |
| Tekanan wap | 3.73 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 | 1.33 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 404.9 ± 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)
Lipinski
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 9 | (1) ACD | |
| H penerima | 9 | (1) ACD | |
| H penderma | 1 | (1) ACD | |
| H penderma/penerima jumlah | 10 | (1) ACD | |
| logp | 4.839 ± 0.618 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 542.58 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 99.1 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 | 692.9 ± 65.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi pengewapan | 106.61 ± 3.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik kilat | 372.8 ± 34.3 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
![C39H37N5O7 Adenosine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C20H31NO5 asid heptanoik, 3- hydroxy-5-methyl-4-[(phenylmethoxy) carbonyl] amino]-, 1,1-dimetiletil ester, [3r- (3r*, 4s*, 5s*)]-(9ci) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C47H51FN7O7P Adenosine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2 '-fluoro-, 3'-[2-cyanoethyl N, N-bis (1-metiletil)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine-300x300.png)
![C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox yethyl) -5-methyl- (9ci, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C21H23N3O5 l-nornithine, N5- (aminocarbonyl) -n2-[(9H-fluoren-9-ylmethoxy) carbonyl]-(9ci, aci)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)