9-beta-D-glucopyranosyl-9H-purine-2,6-diamine structure

9-beta-D-glucopyranosyl-9H-purine-2,6-diamine

(2R,3R,4S,5S,6R)-2-(2,6-diaminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: 9-beta-D-glucopyranosyl-9H-purine-2,6-diamine|9H-Purine-2,6-diamine, 9-beta-D-glucopyranosyl-|9H-Purine-2,6-diamine, 9-.beta.-D-glucopyranosyl-|9-Hexopyranosyl-2-imino-2,9-dihydro-1H-purin-6-amine|9-beta-D-Glucopyranosyl-2-imino-2,9-dihydro-1H-purin-6-amine|(2R,3R,4S,5S,6R)-2-(2,6-diaminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 64414-75-1
Molecular Formula C11H16N6O5
Molecular Weight 312.11823 g/mol
LogP -2.0
Topological Polar Surface Area 186.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
Rotatable Bonds 2
Exact Mass 312.11823
Monoisotopic Mass 312.11823
Heavy Atoms 22
Complexity 405.0

Chemical Identifiers

CAS Number 64414-75-1
SMILES C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N)N
InChIKey SHZRHPCNBAFEKS-AUXKDTDASA-N

Product Overview

9-beta-D-glucopyranosyl-9H-purine-2,6-diamine (CAS 64414-75-1), with molecular formula C11H16N6O5 and molecular weight 312.11823 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-(2,6-diaminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol.

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