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

Pangunahing Impormasyon:

Detalye ng Produkto

Mga Tag ng Produkto

Detalye ng sangkap

CAS Registry Number

80791-87-3

Pangunahing Pisikal na Katangian	Halaga	Kundisyon
Molekular na Timbang	296.28	-
Melting Point (Eksperimento)	121-122 °C	Solvent: Methanol
Boiling Point (Hulaan)	733.2±70.0 °C	Pindutin ang: 760 Torr
Densidad (Hula)	1.98±0.1 g/cm3	Temp: 20 °C; Pindutin ang: 760 Torr
pKa (Hula)	13.12±0.70	Pinakamaasim na Temp: 25 °C

Iba pang Pangalan at Identifier

Canonical SMILES

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

Isomeric 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

Susi ng InChI

JLWUWXCKSOIFPS-KQYNXXCUSA-N

2 Iba pang Pangalan para sa Substansyang ito

2-Amino-2′ -O-methyladenosine (ACI); 2′-O-Methyl-2,6-diaminopurine riboside
Available ang mga property
Thermal

Thermal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Punto ng Pagkatunaw	121-122 °C	Solvent: Methanol	(1) CAS

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

Eksperimental na Spectra

Available ang spectra
UV at Nakikita

Mga Hinulaang Katangian

Available ang mga property
Biyolohikal
Kemikal
Densidad
Lipinski
Kaugnay na Istruktura
Thermal

Biyolohikal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Salik ng Bioconcentration	1.0	pH 1; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 2; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 3; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 4; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 5; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 6; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 7; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 8; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 9; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 10; Temp: 25 °C	(1) ACD

Pinagmulan ng Kundisyon ng Halaga ng Ari-arian

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

Mass Intrinsic Solubility 1.6 g/L Temp: 25 °C (1) ACD

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

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

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

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

Mass Solubility 3.6 g/L pH 5; Temp: 25 °C (1) ACD

Mass Solubility 1.8 g/L pH 6; Temp: 25 °C (1) ACD

Mass Solubility 1.7 g/L pH 7; Temp: 25 °C (1) ACD

Mass Solubility 1.6 g/L pH 8; Temp: 25 °C (1) ACD

Mass Solubility 1.6 g/L pH 9; Temp: 25 °C (1) ACD

Mass Solubility 1.6 g/L pH 10; Temp: 25 °C (1) ACD

Densidad

Ari-arian	Halaga	Kundisyon	Pinagmulan
Densidad	1.98±0.1 g/cm3	Temp: 20 °C; Pindutin ang: 760 Torr	(1) ACD
Dami ng Molar	149.3±7.0 cm3/mol	Temp: 20 °C; Pindutin ang: 760 Torr	(1) ACD

Lipinski

Ari-arian	Halaga	Kundisyon	Pinagmulan
Mga Malayang Naiikot na Bono	5		(1) ACD
H Mga Tatanggap	10		(1) ACD
H Mga Donor	6		(1) ACD
H Donor/Acceptor Sum	16		(1) ACD
logP	-0.363±0.611	Temp: 25 °C	(1) ACD
Molekular na Timbang	296.28