C53H66N7O8PSi URUBANZA OYA.: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramidite] (ACI)

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Numero ya CAS

104992-55-4

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	988.19	-
pKa (Byahanuwe)	7.87 ± 0.43	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

N # CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1O [Si] (C) (C) C (C) (C) C ) COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = CC = C (OC) C = C7) 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] (O [Si] (C (C) (C) C) (C) C) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

InChI

InChI = 1S / C53H66N7O8PSi / c1-36 (2) 60 (37 (3) 4) 69 (65-32-18-31-54) 67-46-44 (33-64-53 (39-21-16- 13-17-22-39,40-23-27-42 (62-8) 28-24-40) 41-25-29-43 (63-9) 30-26-41) 66-51 (47 ( 46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49 (45) 59) 58-50 (61) 38-19- 14-12-15-20-38 / h1 2-17,19-30,34-37,44,46-47,51H, 18,32-33H2,1-11H3, (H, 55,56,58, 61) / t44-, 46-, 47-, 51-, 69? / M1 / s1

InChI Urufunguzo

FFXHNCNNHASXCT-RFMFGJHUSA-N

1 Irindi zina kuriyi ngingo

Adenosine,N-benzoyl-5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ -

Ikigereranyo

Spectra irahari
Misa

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	5.50 x 105	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.00 x 106	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	1.00 x 106	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.00 x 106	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	61500	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.64 x 106	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.00 x 107	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.00 x 107	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.00 x 107	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.00 x 107	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.00 x 107	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.00 x 107	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Koc	3.20 x 106	pH 9;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	9.24 x 105	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logD	8.81	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
logD	10.24	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
logD	11.24	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
logD	11.73	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
logD	11.83	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
logD	11.83	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
logD	11.75	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
logD	11.31	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
logD	10.53	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
logD	9.99	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logP	11.845 ± 0.715	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	1.2 x 10-5 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.5 x 10-3 g / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-4 g / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	9.9 x 10-6 g / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.4 x 10-6 g / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.7 x 10-6 g / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.7 x 10-6 g / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.2 x 10-6 g / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	8.9 x 10-6 g / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	6.3 x 10-5 g / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.2 x 10-4 g / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.2 x 10-6 g / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	1.2 x 10-8 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.5 x 10-6 mol / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.1 x 10-7 mol / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.0 x 10-8 mol / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.4 x 10-9 mol / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.7 x 10-9 mol / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.7 x 10-9 mol / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.2 x 10-9 mol / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	9.0 x 10-9 mol / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	6.4 x 10-8 mol / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.2 x 10-7 mol / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.2 x 10-9 mol / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	988.19
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	21		(1) ACD
H Abakira	15		(1) ACD
H Abaterankunga	1		(1) ACD
H Abaterankunga / Abemera Sum	16		(1) ACD
logP	11.845 ± 0.715	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	988.19