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

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Produktdetail

CAS-registraasjenûmer

2140-79-6

Wichtige fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	281.27	-
Smeltpunt (eksperiminteel)	204-206 °C	-
Siedpunt (foarsein)	623,8±65,0 °C	Druk: 760 Torr
Dichtheid (foarsein)	1,84 ± 0,1 g/cm3	Temp: 20 °C; Druk: 760 Torr
pKa (Foarsein)	13.13±0.70	Soerste temperatuer: 25 °C

Kanonike 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

YnChI

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-kaai

FPUGCISOLXNPPC-IOSLPCCCSA-N

2 Oare nammen foar dizze stof

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

Beskikbere eigenskippen
Termysk

Besit	Wearde	Boarne fan 'e tastân
Smeltpunt	204-206 °C	(1) CAS

(1) Martinez-Montero, Saul; Europeesk Tydskrift foar Organyske Skiekunde, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus

Spektra beskikber
1H NMR
13C NMR
IR
Mis

Beskikbere eigenskippen
Biologysk
Gemysk
Dichtheid
Lipinski
Struktuer relatearre
Termysk

Eigendomswearde Tastân Boarne

Biokonsintraasjefaktor 1.99 pH 10; Temp: 25 °C (1) ACD

Besit	Wearde	Betingst	Boarne
Koc	1.0	pH 1; Temperatuer: 25 °C	(1) ACD
Koc	1.0	pH 2; Temperatuer: 25 °C	(1) ACD
Koc	4.54	pH 3; Temperatuer: 25 °C	(1) ACD
Koc	26.0	pH 4; Temperatuer: 25 °C	(1) ACD
Koc	51.0	pH 5; Temperatuer: 25 °C	(1) ACD
Koc	56.4	pH 6; Temperatuer: 25 °C	(1) ACD
Koc	57.0	pH 7; Temperatuer: 25 °C	(1) ACD
Koc	57.1	pH 8; Temperatuer: 25 °C	(1) ACD
Koc	57.1	pH 9; Temperatuer: 25 °C	(1) ACD
Koc	57.0	pH 10; Temperatuer: 25 °C	(1) ACD
logD	-1.70	pH 1; Temperatuer: 25 °C	(1) ACD
logD	-1.25	pH 2; Temperatuer: 25 °C	(1) ACD
logD	-0.40	pH 3; Temperatuer: 25 °C	(1) ACD
logD	0.36	pH 4; Temperatuer: 25 °C	(1) ACD
logD	0.65	pH 5; Temperatuer: 25 °C	(1) ACD
logD	0.69	pH 6; Temperatuer: 25 °C	(1) ACD
logD	0.70	pH 7; Temperatuer: 25 °C	(1) ACD
logD	0.70	pH 8; Temperatuer: 25 °C	(1) ACD
logD	0.70	pH 9; Temperatuer: 25 °C	(1) ACD
logD	0.70	pH 10; Temperatuer: 25 °C	(1) ACD
logP	0.697±0.596	Temperatuer: 25 °C	(1) ACD
Massa yntrinsike oplosberens	3,7 g/L	Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	886 g/L	pH 1; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	309 g/L	pH 2; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	45 g/L	pH 3; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	7,9 g/L	pH 4; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	3,9 g/L	pH 5; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	3,7 g/L	pH 6; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	3,7 g/L	pH 7; Temperatuer: 25 °C	(1) ACD

Besit	Wearde	Betingst	Boarne
Massa-oplosberens	3,7 g/L	pH 8; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	3,7 g/L	pH 9; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	3,7 g/L	pH 10; Temperatuer: 25 °C	(1) ACD
Massa-oplosberens	3,7 g/L	Unbufferd wetter pH 8.07; Temp: 25 °C	(1) ACD
Molêre yntrinsike oplosberens	0,013 mol/L	Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	3,15 mol/L	pH 1; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	1,10 mol/L	pH 2; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,16 mol/L	pH 3; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,028 mol/L	pH 4; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,014 mol/L	pH 5; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 6; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 7; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 8; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 9; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	pH 10; Temperatuer: 25 °C	(1) ACD
Molêre oplosberens	0,013 mol/L	Unbufferd wetter pH 8.07; Temp: 25 °C	(1) ACD
Molekulêr gewicht	281.27
pKa	13.13±0.70	Soerste temperatuer: 25 °C	(1) ACD
pKa	3,82±0,10	Meast basistemperatuer: 25 °C	(1) ACD
Dampdruk	2.02 x 10-16 Torr	Temperatuer: 25 °C	(1) ACD

Besit	Wearde	Boarne fan 'e tastân
Frij rotearbere obligaasjes	5	(1) ACD
H-akseptors	9	(1) ACD
H Donateurs	4	(1) ACD

Besit	Wearde	Boarne fan 'e tastân
Poaloerflak	129 A2	(1) ACD