C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- ACI)
Numero ya CAS
199593-09-4
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 801.87 | - |
| pKa (Byahanuwe) | 10.18 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical
N # CCCOP (OC1C (OC (N2C = CC (= NC2 = O) NC (= O) C) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C (C) C.
Isomeric SMILES
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC # N) [C @@ H] (OC) [C @@ H] (O1) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4 ) C5 = CC = CC = C5
InChI
InChI = 1S / C42H52N5O9P / c1-28 (2) 47 (29 (3) 4) 57 (54-26-12-24-43) 56-38-36 (55-40 (39 (38) 52-8) 46-25-23-37 (44-30 (5) 48) 45-41 (46) 49) 27-53 -42 (31-13-10-9-11-14-31,32-15-19- 34 (50-6) 20-16-32) 33-17-21-35 (51-7) 22-18-33 / h9-11,13-23,25,28-29,36,38-40H, 12,26-27H2,1-8H3, (H, 44,45,48,49) / t36-, 38-, 39-, 40-, 57? / M1 / s1
InChI Urufunguzo
WNWUMIPFLOKTEZ-UAQIPLLRSA-N
1 Irindi zina kuriyi ngingo
Cytidine,N-acetyl-5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O-methyl-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 4.77 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 50.1 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2190 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 21700 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 35700 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 37800 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 37900 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 37300 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 31400 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 12300 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
| Agaciro Agaciro Imiterere Inkomoko |
| Koc 8.29 pH 1; Ubushyuhe: 25 ° C (1) ACD |
| Koc 87.1 pH 2; Ubushyuhe: 25 ° C (1) ACD |
| Koc 3800 pH 3; Ubushyuhe: 25 ° C (1) ACD |
| Koc 37700 pH 4; Ubushyuhe: 25 ° C (1) ACD |
| Koc 62000 pH 5; Ubushyuhe: 25 ° C (1) ACD |
| Koc 65700 pH 6; Ubushyuhe: 25 ° C (1) ACD |
| Koc 65900 pH 7; Ubushyuhe: 25 ° C (1) ACD |
| Koc 64700 pH 8; Ubushyuhe: 25 ° C (1) ACD |
| Koc 54500 pH 9; Ubushyuhe: 25 ° C (1) ACD |
| Koc 21400 pH 10; Ubushyuhe: 25 ° C (1) ACD |
| logD 2.43 pH 1; Ubushyuhe: 25 ° C (1) ACD |
| logD 3.45 pH 2; Ubushyuhe: 25 ° C (1) ACD |
| logD 5.09 pH 3; Ubushyuhe: 25 ° C (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| logD | 6.09 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.30 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.33 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.33 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.32 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.25 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.84 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 6.329 ± 0.771 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 1.8 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.4 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.14 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.1 x 10-3 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.2 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.9 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.8 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.8 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.8 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.2 x 10-4 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.6 x 10-4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.8 x 10-4 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 2.3 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.8 x 10-3 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.7 x 10-4 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.9 x 10-6 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.0 x 10-7 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.4 x 10-7 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.3 x 10-7 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.3 x 10-7 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.3 x 10-7 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.8 x 10-7 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.0 x 10-7 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.3 x 10-7 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Uburemere bwa molekile | 801.87 | ||
| pKa | 10.18 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 3.57 ± 0.20 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 18 | (1) ACD | |
| H Abakira | 14 | (1) ACD | |
| H Abaterankunga | 1 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 15 | (1) ACD | |
| logP | 6.329 ± 0.771 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 801.87 |
.
| Umutungo | Agaciro | Inkomoko |
| Ubuso bwa polarike | 167 A2 | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR
![C9H10N2O5 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) - , (2R, 3 R, 3aS, 9aR) - (9CI, ACI)](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo-300x300.png)
![C47H51FN7O7P Adenosine, N-benzoyl-5 ′ -O- fosifore amidite] (ACI)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine-300x300.png)
![C41H49FN5O8P Cytidine, N-acetyl-5 ′ -O- fosifore amidite] (ACI)](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine-300x300.png)
