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

Basisynformaasje:

Stjoer e-post nei ús

Produktdetail

Produktlabels

Detail fan 'e stof

CAS-registraasjenûmer

80791-87-3

Wichtige fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	296.28	-
Smeltpunt (eksperiminteel)	121-122 °C	Oplosmiddel: Metanol
Siedpunt (foarsein)	733,2±70,0 °C	Druk: 760 Torr
Dichtheid (foarsein)	1,98 ± 0,1 g/cm3	Temp: 20 °C; Druk: 760 Torr
pKa (Foarsein)	13.12±0.70	Soerste temperatuer: 25 °C

Oare nammen en identifikaasjes

Kanonike 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

YnChI

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-kaai

JLWUWXCKSOIFPS-KQYNXXCUSA-N

2 Oare nammen foar dizze stof

2-Amino-2′ -O-methyladenosine (ACI); 2′ -O-Metyl-2,6-diaminopurine riboside
Beskikbere eigenskippen
Termysk

Termysk

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

(1) Kore, Anilkumar R.; Nukleosiden, Nukleotiden & Nukleïnezuren, (2006), 25(3), 307-314, CAplus

Eksperimintele spektra

Spektra beskikber
UV en Sichtber

Foarseine eigenskippen

Beskikbere eigenskippen
Biologysk
Gemysk
Dichtheid
Lipinski
Struktuer relatearre
Termysk

Biologysk

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

Eigendomswearde Tastân 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

Massa-oplosberens 504 g/L pH 1; Temp: 25 °C (1) ACD

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

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

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

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

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

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

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

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

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

Dichtheid

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

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotearbere obligaasjes	5		(1) ACD
H-akseptors	10		(1) ACD
H Donateurs	6		(1) ACD
H Donor/Akseptor Som	16		(1) ACD
logP	-0.363±0.611	Temperatuer: 25 °C	(1) ACD
Molekulêr gewicht	296.28