C33H35N3O8 Cytidine, N-acetyl-5′-O-
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 601.65 | - |
| Ubucucike (Biteganijwe) | 1.28 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 10.19 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa 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
SMILES Isomeric C (OC [C @ H] 1O [C @ H] ([C @ H] (OC)
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) 20-43-33 (22-8-6-5-7-9-22,23-10-14-25 (40-2) 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
InChI Urufunguzo
FINUHOJILDNELQ-PMFUCWTESA-N
1 Irindi zina kuriyi ngingo
N-Acetyl-5′-O-
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 8.87 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 27.8 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 171 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 515 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 650 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 668 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 668 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 657 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 560 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 229 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 48.6 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 152 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 935 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2820 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3560 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3660 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3660 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3600 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3070 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1250 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 2.14 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 2.64 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| logD | 3.43 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 3.91 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.01 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.02 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.02 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.01 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 3.94 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 3.55 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 4.021 ± 0.768 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 1.3 x 10-3 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0,10 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.032 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.2 x 10-3 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.7 x 10-3 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.4 x 10-3 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-3 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-3 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-3 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.6 x 10-3 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.9 x 10-3 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-3 g / L. | Amazi adafite ingufu pH 6.99; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 2.2 x 10-6 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.7 x 10-4 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 5.3 x 10-5 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 8.6 x 10-6 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.9 x 10-6 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.3 x 10-6 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.2 x 10-6 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.2 x 10-6 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.2 x 10-6 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.6 x 10-6 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.4 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 2.2 x 10-6 mol / L. | Amazi adafite ingufu pH 6.99; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 601.65 | ||
| pKa | 10.19 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 3.57 ± 0.20 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.28 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 466.5 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 11 | (1) ACD | |
| H Abakira | 11 | (1) ACD | |
| H Abaterankunga | 2 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 13 | (1) ACD | |
| logP | 4.021 ± 0.768 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 601.65 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 128 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
13C NMR
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