C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- (1-methylethyl) phosphoramidite] (ACI)

ibicuruzwa

C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- (1-methylethyl) phosphoramidite] (ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

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.

Andi mazina nibiranga

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

Ikigereranyo

Spectra irahari
13 C NMR
Hetero NMR

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

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

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Imiti

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

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Lipinski

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

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Imiterere ijyanye

Umutungo Agaciro Inkomoko
Ubuso bwa polarike 176 A2 (1) ACD

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Ibiteganijwe

Spectra irahari
1 H NMR
13 C NMR


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