C39H46FN4O8P Uridine, 5 ′ -O- )

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Numero ya CAS

146954-75-8

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	748.78	-
pKa (Byahanuwe)	9.39 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

N # CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = CC (= O) NC5 = O) 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] (F) [C @@ H] (O1) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5

InChI

InChI = 1S / C39H46FN4O8P / c1-26 (2) 44 (27 (3) 4) 53 (50-24-10-22-41) 52-36-33 (51-37 (35 (36) 40) 43- 23-21-34 (45) 42-38 (43) 46) 25-49-39 (28-11 -8-7-9-12-28,29-13-17-31 (47-5) 18-14-29) 30-15-19-32 (48-6) 20-16-30 / h7-9 , 11-21,23,26-27,33,35-37H, 10,24-25H2,1-6H3, (H, 42,45,46) / t3 3-, 35-, 36-, 37-, 53? / M1 / s1

InChI Urufunguzo

HQHQPAYRJJMYQX-DJTPZYMWSA-N

1 Irindi zina kuriyi ngingo

Uridine, 5 ′ -O- [bis.

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	457	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	3690	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	27700	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	82900	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.04 x 105	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.06 x 105	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.06 x 105	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.02 x 105	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	76200	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	22000	pH 10; Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Agaciro Agaciro Imiterere Inkomoko

Koc 592 pH 1; Ubushyuhe: 25 ° C (1) ACD

Koc 4790 pH 2; Ubushyuhe: 25 ° C (1) ACD

Koc 36000 pH 3; Ubushyuhe: 25 ° C (1) ACD

Koc 1.07 x 105 pH 4; Ubushyuhe: 25 ° C (1) ACD

Koc 1.34 x 105 pH 5; Ubushyuhe: 25 ° C (1) ACD

Koc 1.38 x 105 pH 6; Ubushyuhe: 25 ° C (1) ACD

Koc 1.37 x 105 pH 7; Ubushyuhe: 25 ° C (1) ACD

Koc 1.33 x 105 pH 8; Ubushyuhe: 25 ° C (1) ACD

Koc 98800 pH 9; Ubushyuhe: 25 ° C (1) ACD

Koc 28600 pH 10; Ubushyuhe: 25 ° C (1) ACD

logD 4.55 pH 1; Ubushyuhe: 25 ° C (1) ACD

logD 5.46 pH 2; Ubushyuhe: 25 ° C (1) ACD

logD 6.33 pH 3; Ubushyuhe: 25 ° C (1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
logD	6.81	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.91	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.92	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.92	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.90	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.77	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.23	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
logP	6.918 ± 0.641	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	2.2 x 10-5 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.1 x 10-3 g / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	6.3 x 10-4 g / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	8.2 x 10-5 g / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.8 x 10-5 g / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.2 x 10-5 g / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.2 x 10-5 g / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.2 x 10-5 g / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.2 x 10-5 g / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.0 x 10-5 g / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.0 x 10-4 g / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.2 x 10-5 g / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	2.9 x 10-8 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	6.8 x 10-6 mol / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	8.4 x 10-7 mol / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.1 x 10-7 mol / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.7 x 10-8 mol / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.0 x 10-8 mol / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-8 mol / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-8 mol / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.0 x 10-8 mol / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.0 x 10-8 mol / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-7 mol / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-8 mol / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Uburemere bwa molekile	748.78
pKa	9.39 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	3.45 ± 0.70	Ubushyuhe bwibanze: 25 ° C.	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	17		(1) ACD
H Abakira	12		(1) ACD
H Abaterankunga	1		(1) ACD
H Abaterankunga / Abemera Sum	13		(1) ACD
logP	6.918 ± 0.641	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	748.78