![C31H32N2O8 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9c I, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H32N2O8 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9c i, aci)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine.jpg)
C31H32N2O8 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9c I, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 560.60 | - |
| Ketumpatan (diramalkan) | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 9.39 ± 0.10 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1C = Cn (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC
Isomerik Smiles C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3)
Inchi
Inchi = 1S/C31H32N2O8/C1-37-23-13-9-21 (10-14-23) 31 (20-7-5-4-6-8-8-20,22-11-15-24 (38-2) 16-12-22)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35H, 19H2,1-3H3, (H, 32,34,36)/T25-, 27-, 28-, 29-/m1/s1
Kunci Inchi
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 nama lain untuk bahan ini
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyluridine (ACI); 5'-o- (4,4'-dimethoxytrityl) -2'-o-methyluridine
Spektrum tersedia
1H NMR
Massa
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1240 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1240 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1230 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1190 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 861 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 238 | 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 | 5690 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 5670 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 5450 | pH 8; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 3960 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1100 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.35 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.21 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.66 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.372 ± 0.582 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 3.7 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.8 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.3 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.9 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | Air yang tidak disengajakan pH 6.99; 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 |
| 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 |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 6.6 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.8 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 9.4 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.4 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol/l | Air yang tidak disengajakan pH 6.99; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 560.60 | ||
| PKA | 9.39 ± 0.10 | Tempatan yang paling berasid: 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 | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 412.9 ± 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 | 11 | (1) ACD | |
| H penerima | 10 | (1) ACD | |
| H penderma | 2 | (1) ACD | |
| H penderma/penerima jumlah | 12 | (1) ACD | |
| logp | 4.372 ± 0.582 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 560.60 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 116 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
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