1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione hydrate

Systemtic Name: 1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione hydrate Openeye Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione hydrate CAS Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione hydrate IUPAC Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione hydrate Traditional Name: 1-[(4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-quinone hydrate Formula: C9H13IN2O6 MolecularWeight: 372.11379

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O.O

Isomeric SMILES

C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)I)CO)O.O

InChI

InChI=1S/C9H11IN2O5.H2O/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7;/h2,5-7,13-14H,1,3H2,(H,11,15,16);1H2/t5-,6+,7?;/m0./s1