C44H49N5O7Si Adenosine, N-benzoyl-5′-O-

Amakuru y'ibanze:

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Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	787.98	-
Ubucucike (Biteganijwe)	1.23 ± 0.1 g / cm3	Ubushyuhe: 20 ° C;Kanda: 760 Torr
pKa (Byahanuwe)	7.87 ± 0.43	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical
O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3O [Si] (C) (C) C (C) (C) C) C = 7C = CC = CC7
Isomeric SMILES
C (OC [C @ H] 1O [C @ H] ([C @ H] (O [Si] (C (C) (C) C) (C) C) [C @@ H] 1O) 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 / C44H49N5O7Si / c1-43 (2,3) 57 (6,7) 56-38-37 (50) 35 (55-42 (38) 49-28-47-36-39 (45-27- 46-40 (36) 49) 48-41 (51) 29-14-10-8-11-15-2 9) 26-54-44 (30-16-12-9-13-17-30,31 -18-22-33 (52-4) 23-19-31) 32-20-24-34 (53-5) 25-21-32 / h8-25,27-28,35,37-38,42 , 50H, 26H2,1-7H3, (H,
45,46,48,51) / t35-, 37-, 38-, 42- / m1 / s1
InChI Urufunguzo
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Andi mazina kuriyi ngingo
N-Benzoyl-5′-O- [bis (4-mikorerexyphenyl) fenylmethyl] -2′-O -N6-Benzoyl-5′-O- (4,4′- dimethoxytrityl) -2′-O- (tert-butyldimethylsilyl) adenosine

Ikigereranyo

Spectra irahari
1H NMR
Hetero NMR

Ibintu Byateganijwe

Ibyiza birahari

Ibinyabuzima

Imiti

Ubucucike

Lipinski

Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	1.00 x 106	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	5.41 x 105	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	2.01 x 106	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Koc	6.87 x 106	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Koc	9.08 x 106	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Koc	9.38 x 106	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Koc	9.39 x 106	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Koc	9.19 x 106	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Koc	7.53 x 106	pH 7;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	2.73 x 106	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Koc	4.48 x 105	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.31 x 105	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logD	9.62	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
logD	10.15	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
logD	10.27	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
logD	10.29	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
logD	10.29	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
logD	10.28	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
logD	10.19	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
logD	9.75	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
logD	8.97	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
logD	8.43	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logP	10.291 ± 0.708	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	1.1 x 10-6 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.8 x 10-6 g / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.4 x 10-6 g / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-6 g / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.0 x 10-6 g / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.0 x 10-6 g / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.0 x 10-6 g / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.3 x 10-6 g / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.5 x 10-6 g / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.2 x 10-5 g / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	7.6 x 10-5 g / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.3 x 10-6 g / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	1.4 x 10-9 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	6.1 x 10-9 mol / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.8 x 10-9 mol / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-9 mol / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.3 x 10-9 mol / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.3 x 10-9 mol / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	1.3 x 10-9 mol / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.6 x 10-9 mol / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.5 x 10-9 mol / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.8 x 10-8 mol / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	9.6 x 10-8 mol / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.6 x 10-9 mol / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	787.98
pKa	7.87 ± 0.43	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	1.39 ± 0.10	Ubushyuhe bwibanze: 25 ° C.	(1) ACD

Ubucucike

Umutungo	Agaciro	Imiterere	Inkomoko
Ubucucike	1.23 ± 0.1 g / cm3	Ubushyuhe: 20 ° C;Kanda: 760 Torr	(1) ACD
Umubumbe wa Molar	639.5 ± 7.0 cm3 / mol	Ubushyuhe: 20 ° C;Kanda: 760 Torr	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	14		(1) ACD
H Abakira	12		(1) ACD
H Abaterankunga	2		(1) ACD
H Abaterankunga / Abemera Sum	14		(1) ACD
logP	10.291 ± 0.708	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	787.98