C44H53FN7O8 Guanosine, 5 ′ -O- N-bis (1-methyl ethyl) phosphoramidite] (ACI)

Amakuru y'ibanze:

Ohereza imeri kuri twe

Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

144089-97-4

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	857.91	-
pKa (Byahanuwe)	9.16 ± 0.20	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 (= O) N = C (NC (= O) C (C) C) NC65) 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) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6

InChI

InChI = 1S / C44H53FN7O8P / c1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 ( 60-61 (58-24-12-23-46) 52 (28 (3) 4) 29 (5) 6) 35 (59-42) 25-57-44 (30-13-10-9-11-14-30,31-15-19-33 (55-7) 20-16-31) 32-17- 21-34 (56-8) 22-18-32 / h9-11,13-22,26-29,35-36,38,42H, 12, 24-25H2,1-8H3, (H2,48,49,50,53,54) / t35-, 36-, 38-, 42-, 61? / M1 / s1

InChI Urufunguzo

KJFUMXZZVYMQEU-AOCJBPQJSA-N

1 Irindi zina kuriyi ngingo

Guanosine, 5 ′ -O- [bis.N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl bis (1-methyl etyl) fosifora) [9CI)

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	298	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	6350	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	57800	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.76 x 105	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	2.21 x 105	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	2.26 x 105	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	2.24 x 105	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	2.03 x 105	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.04 x 105	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	19300	pH 10; Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Agaciro Agaciro Imiterere Inkomoko

Koc 312 pH 1; Ubushyuhe: 25 ° C (1) ACD

Koc 6630 pH 2; Ubushyuhe: 25 ° C (1) ACD

Koc 60400 pH 3; Ubushyuhe: 25 ° C (1) ACD

Koc 1.84 x 105 pH 4; Ubushyuhe: 25 ° C (1) ACD

Koc 2.31 x 105 pH 5; Ubushyuhe: 25 ° C (1) ACD

Koc 2.37 x 105 pH 6; Ubushyuhe: 25 ° C (1) ACD

Koc 2.35 x 105 pH 7; Ubushyuhe: 25 ° C (1) ACD

Koc 2.12 x 105 pH 8; Ubushyuhe: 25 ° C (1) ACD

Koc 1.08 x 105 pH 9; Ubushyuhe: 25 ° C (1) ACD

Koc 20200 pH 10; Ubushyuhe: 25 ° C (1) ACD

logD 4.47 pH 1; Ubushyuhe: 25 ° C (1) ACD

logD 5.80 pH 2; Ubushyuhe: 25 ° C (1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
logD	6.76	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
logD	7.24	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
logD	7.34	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
logD	7.35	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
logD	7.35	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
logD	7.30	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
logD	7.01	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.28	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
logP	7.351 ± 0.713	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	3.0 x 10-5 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.022 g / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.0 x 10-3 g / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.2 x 10-4 g / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.9 x 10-5 g / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.1 x 10-5 g / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.0 x 10-5 g / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.0 x 10-5 g / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.3 x 10-5 g / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	6.5 x 10-5 g / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.5 x 10-4 g / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.0 x 10-5 g / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	3.5 x 10-8 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.6 x 10-5 mol / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.2 x 10-6 mol / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-7 mol / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.5 x 10-8 mol / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.6 x 10-8 mol / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.5 x 10-8 mol / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.5 x 10-8 mol / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.9 x 10-8 mol / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.6 x 10-8 mol / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.1 x 10-7 mol / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	3.5 x 10-8 mol / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	857.91
pKa	9.16 ± 0.20	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	3.45 ± 0.70	Ubushyuhe bwibanze: 25 ° C.	(1) ACD

Imiterere ijyanye

Umutungo	Agaciro	Inkomoko
Ubuso bwa polarike	184 A2	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	18		(1) ACD
H Abakira	15		(1) ACD
H Abaterankunga	2		(1) ACD
H Abaterankunga / Abemera Sum	17		(1) ACD
logP	7.351 ± 0.713	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	857.91