![C33H35N3O8 cytidine, N-acetyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Cytidine, N-Acetyl-5'-O- [BIS (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9ci, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 cytidine, N-acetyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9CI, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 601.65 | - |
| Ketumpatan (diramalkan) | 1.28 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 10.19 ± 0.20 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1N = C (C = CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC) NC (= O) C.
Isomerik Smiles C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) N = C (NC (C) = O) C = C2)
Inchi
Inchi = 1S/c33H35N3O8/c1-21 (37) 34-28-18-19-36 (32 (39) 35-28) 31-30 (42-4) 29 (38) 27 (44-31) 15-11-23) 24-12-16-26 (41-3) 17-13-24/H5-19,27,29-31,38H, 20H2,1-4H3, (H, 34,35,37,39)/T27-, 29-, 30-, 31-/m1/s1
Kunci Inchi
Finuhojildnelq-pmfucwtesa-n
1 nama lain untuk bahan ini
N-acetyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methylcytidine (ACI)
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 8.87 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 27.8 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 171 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 515 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 650 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 668 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 668 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 657 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 560 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 229 | 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 | 48.6 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 152 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 935 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 2820 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 3560 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 3660 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 3660 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 3600 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 3070 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1250 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 2.14 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 2.64 | pH 2; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| logd | 3.43 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 3.91 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.94 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.55 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.021 ± 0.768 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1.3 x 10-3 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.10 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.032 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.2 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 x 10-3 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 x 10-3 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-3 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-3 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-3 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.6 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.9 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-3 g/l | Air yang tidak disengajakan pH 6.99; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 2.2 x 10-6 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-5 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.6 x 10-6 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-6 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-6 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.6 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.4 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 2.2 x 10-6 mol/l | Air yang tidak disengajakan pH 6.99; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 601.65 | ||
| PKA | 10.19 ± 0.20 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 3.57 ± 0.20 | Tempatan paling asas: 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 | 1.28 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 466.5 ± 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 | 11 | (1) ACD | |
| H penerima | 11 | (1) ACD | |
| H penderma | 2 | (1) ACD | |
| H penderma/penerima jumlah | 13 | (1) ACD | |
| logp | 4.021 ± 0.768 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 601.65 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 128 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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