Category
Heterocyclic Organic Compound
Synonyms
Hypoxanthined-riboside
IUPAC Name
9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Molecular Formula
C10H12N4O5
Canonical SMILES
C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
InChI
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChI Key
UGQMRVRMYYASKQ-KQYNXXCUSA-N
Melting Point
222-226 °C(lit.)
Appearance
White crystalline powder
Storage
Keep in dark place, sealed in dry, room temperature
Isomeric SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Monoisotopic Mass
268.08076950
Refractive Index
-52 ° (C=1, H₂O)
Safety Description
24/25-36-26
Stability
Stable under normal temperatures and pressures.
Storage Conditions
Store at RT.
Topological Polar Surface Area
129 Ų