Specification
IUPAC Name
1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Canonical SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
InChI
InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1
InChI Key
DWRXFEITVBNRMK-JXOAFFINSA-N
Melting Point
183-184 °C(lit.)
Storage
Keep in dark place, sealed in dry, room temperature
Isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Monoisotopic Mass
258.08518617
Topological Polar Surface Area
119 Ų