C47H51FN7O7P Adenosine, N-benzoyl-5 ′ -O- fosifore amidite] (ACI)

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Numero ya CAS

136834-22-5

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	875.92	-
pKa (Byahanuwe)	7.87 ± 0.43	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 = NC = 6C (= NC = NC65) NC (= O) C = 7C = CC = CC7) 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 = 3C (N = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

InChI

InChI = 1S / C47H51FN7O7P / c1-31 (2) 55 (32 (3) 4) 63 (60-27-13-26-49) 62-42-39 (61-46 (40 (42) 48) 54- 30-52-41-43 (50-29-51-44 (41) 54) 53-45 (56) 33-14-9-7-10-15-33) 28-59-47 (34-16- 11-8-12-17-34,35-18-22-37 (57-5) 23-19-35) 36-20-24-38 (58-6) 25-21-36 / h7-12, 14-25,29-32,39-40,4 2,46H, 13,27-28H2,1-6H3, (H, 50,51,53,56) / t39-, 40-, 42-, 46- , 63? / M1 / s1

InChI Urufunguzo

VCCMVPDSLHFCBB-MSIRFHFKSA-N

1 Irindi zina kuriyi ngingo

Adenosine,N-benzoyl-5 ′ -O- [bis.

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	6590	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.76 x 105	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.00 x 106	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.00 x 106	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	1.00 x 106	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	3.43 x 105	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	99100	pH 10; Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Agaciro Agaciro Imiterere Inkomoko

Koc 2590 pH 1; Ubushyuhe: 25 ° C (1) ACD

Koc 69100 pH 2; Ubushyuhe: 25 ° C (1) ACD

Koc 6.96 x 105 pH 3; Ubushyuhe: 25 ° C (1) ACD

Koc 2.16 x 106 pH 4; Ubushyuhe: 25 ° C (1) ACD

Koc 2.70 x 106 pH 5; Ubushyuhe: 25 ° C (1) ACD

Koc 2.71 x 106 pH 6; Ubushyuhe: 25 ° C (1) ACD

Koc 2.23 x 106 pH 7; Ubushyuhe: 25 ° C (1) ACD

Koc 8.20 x 105 pH 8; Ubushyuhe: 25 ° C (1) ACD

Koc 1.35 x 105 pH 9; Ubushyuhe: 25 ° C (1) ACD

Koc 39000 pH 10; Ubushyuhe: 25 ° C (1) ACD

logD 6.29 pH 1; Ubushyuhe: 25 ° C (1) ACD

logD 7.71 pH 2; Ubushyuhe: 25 ° C (1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
logD	8.71	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
logD	9.20	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
logD	9.30	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
logD	9.30	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
logD	9.22	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
logD	8.79	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
logD	8.00	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
logD	7.46	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
logP	9.317 ± 0.714	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	3.4 x 10-6 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.6 x 10-3 g / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.3 x 10-4 g / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.3 x 10-5 g / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.3 x 10-6 g / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.4 x 10-6 g / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.4 x 10-6 g / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.1 x 10-6 g / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-5 g / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	6.9 x 10-5 g / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.5 x 10-4 g / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.1 x 10-6 g / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	3.9 x 10-9 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.1 x 10-6 mol / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.5 x 10-7 mol / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.5 x 10-8 mol / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.9 x 10-9 mol / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.9 x 10-9 mol / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.9 x 10-9 mol / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.7 x 10-9 mol / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.3 x 10-8 mol / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.9 x 10-8 mol / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.8 x 10-7 mol / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	4.7 x 10-9 mol / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	875.92
pKa	7.87 ± 0.43	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	18		(1) ACD
H Abakira	14		(1) ACD
H Abaterankunga	1		(1) ACD
H Abaterankunga / Abemera Sum	15		(1) ACD
logP	9.317 ± 0.714	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	875.92