C11h16n6o4 adenosine, 2-amino-2 '-o-methyl- (9ci, aci)

Basisynformaasje:

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Produkt detail

Produkt tags

Substânsje detail

CAS Registry Number

80791-87-3

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	296.28	-
Melting Point (eksperiminteel)	121-122 ° C	Solvent: methanol
Siedend punt (foarsizze)	733.2 ± 70,0 ° C	Parse: 760 Torr
Tichtheid (foarsizze)	1.98 ± 0,1 g / cm3	Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze)	13.12 ± 0,70	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes

OCC1OC (N2C = NC = 3C (= NC (= NC32) n) c) c (oc) c1o

Isomeryske glimkes

O (c) [c @ h] 1 [c @ h] (n2c = 3c (n = c2) = c (n) n = c (n) n3) o [c @ h] [c @ h] 1o

Inchi

Inchi = 1s / c11h16n6o4 / c1-20-7-6 (19) 4 (2-18) 21-10 (7) 17-3-14-5 (12) 15-11 (13) 16 /) 17 / H3,1H3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12h3, (h4,12,13,15,16) / T4-, 6-, 7-, 10- / M1 / S1

Inchi-kaai

Jlwuwxcksoifps-kQynxxcusa-n

2 oare nammen foar dizze substansje

2-AMINO-2 '-O-metyLadenosine (aci); 2 '-O-MetyTHYL-2,6-Diaminopurine Ramboside
Eigenskippen beskikber
Thermal

Thermal

Besit	Wearde	Betingst	Boarne
Melting Point	121-122 ° C	Solvent: methanol	(1) CAS

(1) Kore, Anilkumar R .; Nucleosides, nukleotiden en nukleïne soeren, (2006), 25 (3), 307-314, Caplus

Eksperimintele spektra

Spectra te krijen
UV en sichtber

Foarsichtich eigenskippen

Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre
Thermal

Biologysk

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

Eigendomwearde 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

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

Massailiteit 504 G / L PH 1; Temp: 25 ° C (1) ACD

Massa solubility 409 g / l pH 2; Temp: 25 ° C (1) ACD

Massaoliliteit 140 G / L PH 3; Temp: 25 ° C (1) ACD

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

Massailiteit 3,6 G / L PH 5; Temp: 25 ° C (1) ACD

Massailiteit 1,8 G / L PH 6; Temp: 25 ° C (1) ACD

Massa solubility 1,7 g / l pH 7; Temp: 25 ° C (1) ACD

Massa solubility 1.6 g / l pH 8; Temp: 25 ° C (1) ACD

Massa solubility 1.6 g / l pH 9; Temp: 25 ° C (1) ACD

Massa solubility 1.6 g / l pH 10; Temp: 25 ° C (1) ACD

Densheid

Besit	Wearde	Betingst	Boarne
Densheid	1.98 ± 0,1 g / cm3	Temp: 20 ° C; Parse: 760 Torr	(1) ACD
Molar volume	149,3 ± 7,0 cm3 / mol	Temp: 20 ° C; Parse: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotatbere bonnen	5		(1) ACD
H akseptearders	10		(1) ACD
H Donors	6		(1) ACD
H Donor / akseptearje SUM	16		(1) ACD
Logp	-0.363 ± 0.611	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	296.28