C11H15N5O4 Adenosine, 2'-O-methyl- (7CI, 8CI, 9CI, ACI)

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Produkt Detail

CAS Registry Number

2140-79-6

Canonical SMILES

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

Isomere SMILES

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

InChI

InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6) 16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

InChI Key

FPUGCISOLXNPPC-IOSLPCCCSA-N

2 Oare nammen foar dizze stof

2′ -O-Methyladenosine (ACI); Cordysinin B

Eigenskippen beskikber
Thermal

Besit	Wearde	Betingst Boarne
Smeltpunt	204-206 °C	(1) CAS

(1) Martinez-Montero, Saul; European Journal of Organic Chemistry, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus

Spectra beskikber
1H NMR
13C NMR
IR
Mis

Eigenskippen beskikber
Biologysk
Gemysk
Tichtheid
Lipinski
Struktuer Related
Thermal

Property Wearde Condition Boarne

Biokonsintraasjefaktor 1,99 pH 10; Temp: 25 °C (1) ACD

Besit	Wearde	Betingst	Boarne
Koc	1.0	pH 1; Temp: 25 °C	(1) ACD
Koc	1.0	pH 2; Temp: 25 °C	(1) ACD
Koc	4.54	pH 3; Temp: 25 °C	(1) ACD
Koc	26.0	pH 4; Temp: 25 °C	(1) ACD
Koc	51.0	pH 5; Temp: 25 °C	(1) ACD
Koc	56.4	pH 6; Temp: 25 °C	(1) ACD
Koc	57,0	pH 7; Temp: 25 °C	(1) ACD
Koc	57.1	pH 8; Temp: 25 °C	(1) ACD
Koc	57.1	pH 9; Temp: 25 °C	(1) ACD
Koc	57,0	pH 10; Temp: 25 °C	(1) ACD
logD	-1.70	pH 1; Temp: 25 °C	(1) ACD
logD	-1.25	pH 2; Temp: 25 °C	(1) ACD
logD	-0.40	pH 3; Temp: 25 °C	(1) ACD
logD	0.36	pH 4; Temp: 25 °C	(1) ACD
logD	0.65	pH 5; Temp: 25 °C	(1) ACD
logD	0.69	pH 6; Temp: 25 °C	(1) ACD
logD	0,70	pH 7; Temp: 25 °C	(1) ACD
logD	0,70	pH 8; Temp: 25 °C	(1) ACD
logD	0,70	pH 9; Temp: 25 °C	(1) ACD
logD	0,70	pH 10; Temp: 25 °C	(1) ACD
logP	0.697±0.596	Temp: 25 °C	(1) ACD
Mass yntrinsike oplosberens	3,7 g/L	Temp: 25 °C	(1) ACD
Massasolubiliteit	886 g/L	pH 1; Temp: 25 °C	(1) ACD
Massasolubiliteit	309 g/L	pH 2; Temp: 25 °C	(1) ACD
Massasolubiliteit	45 g/l	pH 3; Temp: 25 °C	(1) ACD
Massasolubiliteit	7,9 g/l	pH 4; Temp: 25 °C	(1) ACD
Massasolubiliteit	3,9 g/L	pH 5; Temp: 25 °C	(1) ACD
Massasolubiliteit	3,7 g/L	pH 6; Temp: 25 °C	(1) ACD
Massasolubiliteit	3,7 g/L	pH 7; Temp: 25 °C	(1) ACD

Besit	Wearde	Betingst	Boarne
Massasolubiliteit	3,7 g/L	pH 8; Temp: 25 °C	(1) ACD
Massasolubiliteit	3,7 g/L	pH 9; Temp: 25 °C	(1) ACD
Massasolubiliteit	3,7 g/L	pH 10; Temp: 25 °C	(1) ACD
Massasolubiliteit	3,7 g/L	Unbuffered wetter pH 8,07; Temp: 25 °C	(1) ACD
Molêre yntrinsike oplosberens	0,013 mol/L	Temp: 25 °C	(1) ACD
Molêre oplosberens	3,15 mol/l	pH 1; Temp: 25 °C	(1) ACD
Molêre oplosberens	1,10 mol/l	pH 2; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,16 mol/l	pH 3; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,028 mol/L	pH 4; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,014 mol/L	pH 5; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 6; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 7; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 8; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 9; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 10; Temp: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	Unbuffered wetter pH 8,07; Temp: 25 °C	(1) ACD
Molekulêr gewicht	281.27
pKa	13,13±0,70	Meast soere Temp: 25 °C	(1) ACD
pKa	3,82±0,10	Meast Basic Temp: 25 °C	(1) ACD
Dampdruk	2,02 x 10-16 Torr	Temp: 25 °C	(1) ACD

Besit	Wearde	Betingst Boarne
Polar Surface Area	129 A2	(1) ACD