C13H19N5O5 Adenosine, 2 ′ -O- (2-mikorerexyethyl) - (9CI, ACI)

Amakuru y'ibanze:

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Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

168427-74-5

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	325.32	-
Ingingo yo guteka (Biteganijwe)	639.0 ± 65.0 ° C.	Kanda: 760 Torr
Ubucucike (Biteganijwe)	1.70 ± 0.1 g / cm3	Ubushyuhe: 20 ° C;Kanda: 760 Torr
pKa (Byahanuwe)	13.12 ± 0.70	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

OCC1OC (N2C = NC = 3C (= NC = NC32) N) C (OCCOC) C1O

Isomeric SMILES

O (CCOC) [C @ H] 1 [C @@ H] (O [C @ H] (CO) [C @ H] 1O) N2C = 3C (N = C2) = C (N) N = CN3

InChI

InChI = 1S / C13H19N5O5 / c1-21-2-3-22-10-9 (20) 7 (4-19) 23-13 (10) 18-6-17-8-11 (14) 15-5- 16-12 (8) 18 / h5-7,9-10,13,19-20H, 2-4H2,1H3, (H2,14,15,16) / t7-, 9-, 10-, 13- / m1 / s1

InChI Urufunguzo

PUDXUJRJLRLJIU-QYVSTXNMSA-N

1 Irindi zina kuriyi ngingo

2 ′ -O- (2-Methoxyethyl) adenosine (ACI)

Spectra irahari
1 H NMR
13 C NMR

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye
Ubushyuhe

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	1.0	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.0	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.0	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.0	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.18	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.31	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.32	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.32	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.32	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	1.32	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	1.0	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.0	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Koc	3.39	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Koc	19.4	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Koc	38.0	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Koc	42.0	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Koc	42.5	pH 7;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	42.5	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Koc	42.5	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Koc	42.5	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logD	-1.94	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
logD	-1.48	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
logD	-0.64	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
logD	0.12	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
logD	0.41	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
logD	0.46	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
logD	0.46	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
logD	0.46	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
logD	0.46	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
logD	0.46	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logP	0.462 ± 0.647	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	4.2 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	999 g / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	381 g / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	55 g / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	9.4 g / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.9 g / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.2 g / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.2 g / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.2 g / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.2 g / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.2 g / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.2 g / L.	Amazi adafite ingufu pH 8.08;Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	0.013 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.07 mol / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.17 mol / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	0.17 mol / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	0.029 mol / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	0.015 mol / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	0.013 mol / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	0.013 mol / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	0.013 mol / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	0.013 mol / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	0.013 mol / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	0.013 mol / L.	Amazi adafite ingufu pH 8.08;Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	325.32
pKa	13.12 ± 0.70	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	3.82 ± 0.10	Ubushyuhe bwibanze: 25 ° C.	(1) ACD
Umuvuduko w'umwuka	3.35 x 10-17 Torr	Ubushyuhe: 25 ° C.	(1) ACD

Ubucucike

Umutungo	Agaciro	Imiterere	Inkomoko
Ubucucike	1.70 ± 0.1 g / cm3	Ubushyuhe: 20 ° C;Kanda: 760 Torr	(1) ACD
Umubumbe wa Molar	191.2 ± 7.0 cm3 / mol	Ubushyuhe: 20 ° C;Kanda: 760 Torr	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	8		(1) ACD
H Abakira	10		(1) ACD
H Abaterankunga	4		(1) ACD
H Abaterankunga / Abemera Sum	14		(1) ACD
logP	0.462 ± 0.647	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	325.32

Imiterere ijyanye

Umutungo	Agaciro	Inkomoko
Ubuso bwa polarike	138 A2	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Ingingo	639.0 ± 65.0 ° C.	Kanda: 760 Torr	(1) ACD
Umwuka wo guhumeka	99.17 ± 3.0 kJ / mol	Kanda: 760 Torr	(1) ACD
Flash point	340.2 ± 34.3 ° C.		(1) ACD