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

Amakuru y'ibanze:

Ohereza imeri kuri twe

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

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

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