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

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Substantia detail

Cas Subcriptio Number

80791-87-3

Key physica proprietatibus	Valor	Conditio
Pondus	296,28	-
Melting Point (experimentalem)	121-122 ° C	Solvente: Methanol
Ferveret (praedicta)	733.2 ± 70.0 °	Press: DCCLX Torr
Density (praedicta)	1.98 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr
Pka (praedicta)	13.12 ± 0.70	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica ridet

Wif01oc (n2c = NC = 3C (= NC (= NC32) N) N) C (O) C1O

Isomeric smiles

Domine (c) [C @ h] I [c @ h] (n2c = 3C (n = C2) = c (n) n = c (n3) o [c @] (C) [C @] 1o

INCHI

Inchi = 1s / c11h16n6o4 / C1-20-7-6 (XIX) IV (2-18) 21-10 (VII) 17-3-14-5-8 (XII), 15-11 (XIII) 16-9 (V) XVII / H3-4,6-7,1.13.116): (H4,12,13.116): / T4-, 6, 7-, 10- / M1 / S1

Key Inchi

JLWUWXCKSIFPS, KQynxXCusa, N

II aliis nominibus hanc substantiam

II-amino-II '-O-methyladenosine (aci); II '-O-Methyl, 2,6-diaminopurine riboside
Proprietatibus praesto
Scelerum

Scelerum

Res	Valor	Conditio	Fons
Point liquescens	121-122 ° C	Solvente: Methanol	(I) CAS

(I) Core, Anilkumar R.; Nucleosides, nucleeol acida nucleotides & (MMVI), XXV (III), 307-314, Caplus

Experimentalem spectra

Spectra praesto
UV visibilis

Praedixit possessiones

Proprietatibus praesto
Biological
Proiectus
Densitas
Lipinski
Structuram related
Scelerum

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	1.0	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH X; Temp: XXV ° C	(I) ACD

Property valorem condicionem fontem

Koc 1.0 PH I; Temp: XXV ° C (I) ACD

Koc 1.0 PH II; Temp: XXV ° C (I) ACD

Koc 1.0 PH III; Temp: XXV ° C (I) ACD

Koc 1.21 PH IV; Temp: XXV ° C (I) ACD

Koc 6.90 PH V; Temp: XXV ° C (I) ACD

Koc 13.5 PH VI; Temp: XXV ° C (I) ACD

Koc 14.9 ph VII; Temp: XXV ° C (I) ACD

Koc 15,1 PH VIII; Temp: XXV ° C (I) ACD

Koc 15,1 PH IX; Temp: XXV ° C (I) ACD

Koc 15,1 PH X; Temp: XXV ° C (I) ACD

logd -2.85 pH I; Temp: XXV ° C (I) ACD

Logd -2.76 PH II; Temp: XXV ° C (I) ACD

Logd -2.31 pH III; Temp: XXV ° C (I) ACD

Logd -1.46 PH IV; Temp: XXV ° C (I) ACD

Logd -0.70 PH V; Temp: XXV ° C (I) ACD

Logd -0.41 PH VI; Temp: XXV ° C (I) ACD

logd -0.37 ph VII; Temp: XXV ° C (I) ACD

Logd -0.36 PH VIII; Temp: XXV ° C (I) ACD

Logd -0.36 PH IX; Temp: XXV ° C (I) ACD

logd -0.36 pH X; Temp: XXV ° C (I) ACD

Logp -0.363 ± 0.611 Temp: XXV ° C (I) ACD

Missam intrinsic solubility 1.6 g / l temp: XXV ° (I) ACD

Missam solubility DIV G / l PH I; Temp: XXV ° C (I) ACD

Missam solubility CDIX g / l PH II; Temp: XXV ° C (I) ACD

Missam solubility CXL g / l PH III; Temp: XXV ° C (I) ACD

Missam solubility XX g / l PH IV; Temp: XXV ° C (I) ACD

Missam solubility 3.6 G / l p P V; Temp: XXV ° C (I) ACD

Missam solubility 1.8 g / l p Ph VI; Temp: XXV ° C (I) ACD

Missam solubility 1.7 g / l ph VII; Temp: XXV ° C (I) ACD

Missam solubility 1.6 g / l PH VIII; Temp: XXV ° C (I) ACD

Missam solubility 1.6 g / l p PH IX; Temp: XXV ° C (I) ACD

Missam solubility 1.6 g / l p PH X; Temp: XXV ° C (I) ACD

Densitas

Res	Valor	Conditio	Fons
Densitas	1.98 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr	(I) ACD
Molaris volumine	149.3 ± 7.0 CM3 / mol	Temp: XX ° C; Press: DCCLX Torr	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	5		(I) ACD
H acceptors	10		(I) ACD
H donos	6		(I) ACD
H donator / Acceptor Sum	16		(I) ACD
logp	-0.363 ± 0.611	Temp: XXV ° C	(I) ACD
Pondus	296,28