C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- ACI)

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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.

Andi mazina nibiranga

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

Ibinyabuzima

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

Imiti

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 amazi 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 amazi 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

Lipinski

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