C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- (1-methylethyl) phosphoramidite] (ACI)
Numero ya CAS
163759-94-2
Ibyingenzi Byumubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 922.01 | - |
pKa (Byahanuwe) | 8.59 ± 0.40 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical
N # CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC) (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C 6) 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] (OCCOC) [C @@ H] (O1) N2C (= O) N = C (NC (= O) C3 = CC = CC = C3) C (C) = C2) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
InChI
InChI = 1S / C50H60N5O10P / c1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13- 10-14-19-38,39-20-24-41 (59-7) 25-21-39) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 ( 44) 61-31-30-58-6) 54-32-36 (5) 46 (53-49 (54) 57) 52-47 (56) 37-16-11-9-12-17-37 / h9-14,16-27,32,34- 35,43-45,48H, 15,29-31,33H2,1-8H3, (H, 52,53,56,57) / t43-, 44-, 45-, 48-, 66? / M1 / s1
InChI Urufunguzo
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Andi mazina kuriyi ngingo
Cytidine,N-benzoyl-5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- (2-mikorerexyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) fosifora] 12: PN: WO03084478 URUPAPURO: 57 basabye ADN; 14: PN: US20030170636 URUPAPURO: 17 basabye ADN; 15: PN: U.
S20030211606 URUPAPURO: 19 basabye ADN; 15: PN: US20030212017 URUPAPURO: 19 basabye ADN; 16: PN: US20040005569 URUPAPURO: 22 basabye ADN; 17: PN: US20040006030 URUPAPURO: 23 basabye ADN; 17: PN: US20040014049 URUPAPURO: 20 basabye ADN; 18: PN: US20040014047 PAG E: 20 basabye ADN; 18: PN: US20040014048 URUPAPURO: 20 basabye ADN; 18: PN: US20040014050 URUPAPURO: 20 basabye ADN; 19: PN: U.
S20030171313 URUPAPURO: 9 basabye ADN; 19: PN: US20030198965 URUPAPURO: 20 basabye ADN; 19: PN: US20040005565 URUPAPURO: 17- 22 basabye ADN; 19: PN: US20040005570 URUPAPURO: 20 basabye ADN; 19: PN: US20040014051 URUPAPURO: 22 basabye ADN; 20: PN: US20040014699 URUPAPURO
E: 20 basabye ADN; 21: PN: US20040006029 URUPAPURO: 23 basabye ADN; 21: PN: WO03106645 URUPAPURO: 72 basabye ADN; 61: PN: US20030
166592 URUPAPURO: 15 basabye ADN; 7: PN: WO2005006958 URUPAPURO: 62 basabye ADN; 84: PN: US20040171566 URUPAPURO: 18 basabye ADN; 92:
PN: US20040005707 URUPAPURO: 20 basabye ADN; 9: PN: WO2005007825 URUPAPURO: 62 basabye ADN;N4-Benzoyl-2 ′ -O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3 ′ -phosifora;N4-Benzoyl-2 ′ -O-methoxyethyl-5 ′ -O-dimethoxytrityl-5-methylcytidine-3 ′ - amidite
Spectra irahari
13 C NMR
Hetero NMR
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 171 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1250 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 47600 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 6.44 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.00 x 106 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.00 x 106 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.00 x 106 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 7.79 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.63 x 105 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 30800 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 106 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 773 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 29500 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 3.99 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 8.02 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 8.70 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 8.16 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4.83 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.01 x 105 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 19100 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.48 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 5.34 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.92 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.06 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.36 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.39 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.37 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.14 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 7.46 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.73 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logP | 8.401 ± 0.723 | Ubushyuhe: 25 ° C. | (1) ACD |
Mass Massins Solubility | 1.4 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.1 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.16 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.1 x 10-3 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.0 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.5 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.4 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.5 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.5 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.2 x 10-3 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 6.3 x 10-3 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.5 x 10-4 g / L. | Amazi adafite amazi pH 6.97; Ubushyuhe: 25 ° C. | (1) ACD |
Molar Intrinsic Solubility | 1.5 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.2 x 10-3 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Amashanyarazi | 1.7 x 10-4 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 4.4 x 10-6 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.2 x 10-7 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.6 x 10-7 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.5 x 10-7 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.6 x 10-7 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.7 x 10-7 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.3 x 10-6 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 6.8 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.6 x 10-7 mol / L. | Amazi adafite amazi pH 6.97; Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 922.01 | ||
pKa | 8.59 ± 0.40 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
pKa | 3.87 ± 0.20 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Umutungo | Agaciro | Imiterere | Inkomoko |
Impapuro zishobora guhinduka | 22 | (1) ACD | |
H Abakira | 15 | (1) ACD | |
H Abaterankunga | 1 | (1) ACD | |
H Abaterankunga / Abemera Sum | 16 | (1) ACD | |
logP | 8.401 ± 0.723 | Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 922.01 |
.
Umutungo | Agaciro | Inkomoko |
Ubuso bwa polarike | 176 A2 | (1) ACD |
.
Spectra irahari
1 H NMR
13 C NMR