C11H16N6O4 Adenosine, 2-amino-2'-O-methyl- (9CI, ACI)

Basisynformaasje:

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Produkt Detail

Produkt Tags

Substance Detail

CAS Registry Number

80791-87-3

Key Physical Properties	Wearde	Betingst
Molekulêr gewicht	296.28	-
Smeltpunt (eksperiminteel)	121-122 °C	Oplosmiddel: methanol
Kookpunt (foarsein)	733,2±70,0 °C	Druk: 760 Torr
Tichtheid (foarsein)	1,98±0,1 g/cm3	Temp: 20 °C; Druk: 760 Torr
pKa (foarsein)	13,12±0,70	Meast soere Temp: 25 °C

Oare nammen en identifiers

Canonical SMILES

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

Isomere SMILES

O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(N)N3)O[C@H](CO)[C@H ]1O

InChI

InChI= 1S/C11H16N6O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15-11(13)16-9( 5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16) /t4-,6-,7-,10-/m1/s1

InChI Key

JLWUWXCKSOIFPS-KQYNXXCUSA-N

2 Oare nammen foar dizze stof

2-Amino-2′ -O-methyladenosin (ACI); 2′ -O-Methyl-2,6-diaminopurine riboside
Eigenskippen beskikber
Thermal

Thermal

Besit	Wearde	Betingst	Boarne
Smeltpunt	121-122 °C	Oplosmiddel: methanol	(1) CAS

(1) Kore, Anilkumar R.; Nucleosiden, Nucleotides & Nucleic Acids, (2006), 25(3), 307-314, CAplus

Eksperimintele Spectra

Spectra beskikber
UV en sichtber

Foarsein Eigenskippen

Eigenskippen beskikber
Biologysk
Gemysk
Tichtheid
Lipinski
Struktuer Related
Thermal

Biologysk

Besit	Wearde	Betingst	Boarne
Biokonsintraasjefaktor	1.0	pH 1; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 2; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 3; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 4; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 5; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 6; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 7; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 8; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 9; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	1.0	pH 10; Temp: 25 °C	(1) ACD

Property Wearde Condition Boarne

Koc 1,0 pH 1; Temp: 25 °C (1) ACD

Koc 1,0 pH 2; Temp: 25 °C (1) ACD

Koc 1,0 pH 3; Temp: 25 °C (1) ACD

Koc 1,21 pH 4; Temp: 25 °C (1) ACD

Koc 6,90 pH 5; Temp: 25 °C (1) ACD

Koc 13,5 pH 6; Temp: 25 °C (1) ACD

Koc 14,9 pH 7; Temp: 25 °C (1) ACD

Koc 15,1 pH 8; Temp: 25 °C (1) ACD

Koc 15,1 pH 9; Temp: 25 °C (1) ACD

Koc 15,1 pH 10; Temp: 25 °C (1) ACD

logD -2,85 pH 1; Temp: 25 °C (1) ACD

logD -2,76 pH 2; Temp: 25 °C (1) ACD

logD -2,31 pH 3; Temp: 25 °C (1) ACD

logD -1,46 pH 4; Temp: 25 °C (1) ACD

logD -0,70 pH 5; Temp: 25 °C (1) ACD

logD -0,41 pH 6; Temp: 25 °C (1) ACD

logD -0,37 pH 7; Temp: 25 °C (1) ACD

logD -0,36 pH 8; Temp: 25 °C (1) ACD

logD -0,36 pH 9; Temp: 25 °C (1) ACD

logD -0,36 pH 10; Temp: 25 °C (1) ACD

logP -0,363±0,611 Temp: 25 °C (1) ACD

Massa yntrinsike oplosberens 1,6 g/l Temp: 25 °C (1) ACD

Massoplosberens 504 g/L pH 1; Temp: 25 °C (1) ACD

Massasolubiliteit 409 g/L pH 2; Temp: 25 °C (1) ACD

Massasolubiliteit 140 g/L pH 3; Temp: 25 °C (1) ACD

Massasolubiliteit 20 g/L pH 4; Temp: 25 °C (1) ACD

Massoplosberens 3,6 g/L pH 5; Temp: 25 °C (1) ACD

Massoplosberens 1,8 g/L pH 6; Temp: 25 °C (1) ACD

Massoplosberens 1,7 g/L pH 7; Temp: 25 °C (1) ACD

Massoplosberens 1,6 g/L pH 8; Temp: 25 °C (1) ACD

Massoplosberens 1,6 g/L pH 9; Temp: 25 °C (1) ACD

Massoplosberens 1,6 g/L pH 10; Temp: 25 °C (1) ACD

Tichtheid

Besit	Wearde	Betingst	Boarne
Tichtheid	1,98±0,1 g/cm3	Temp: 20 °C; Druk: 760 Torr	(1) ACD
Molar Volume	149,3±7,0 cm3/mol	Temp: 20 °C; Druk: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij draaibare obligaasjes	5		(1) ACD
H Aksepteurs	10		(1) ACD
H Donateurs	6		(1) ACD
H Donor / Akseptor Sum	16		(1) ACD
logP	-0.363±0.611	Temp: 25 °C	(1) ACD
Molekulêr gewicht	296.28