Specification
Synonyms
4-Amino-5-methyl-1-β- D-ribofuranosylpyrimidin-2(1H)-one
IUPAC Name
4-Amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Canonical SMILES
CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
InChI
InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1
InChI Key
ZAYHVCMSTBRABG-JXOAFFINSA-N
Boiling Point
537.5±60.0 °C
Melting Point
212-215 °C(lit.)
Storage
Keep in dark place, inert atmosphere, store in freezer, under -20 °C
Isomeric SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Monoisotopic Mass
257.10117059
Topological Polar Surface Area
129 Ų