6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-one hydrate

Systemtic Name: 6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-one hydrate Openeye Name: 4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-one hydrate CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-oxanone hydrate IUPAC Name: 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one hydrate Traditional Name: 4,5-dihydroxy-6-methylol-tetrahydropyran-3-one hydrate Formula: C6H12O6 MolecularWeight: 180.15588

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(C(O1)CO)O)O.O

Isomeric SMILES

C1C(=O)C(C(C(O1)CO)O)O.O

InChI

InChI=1S/C6H10O5.H2O/c7-1-4-6(10)5(9)3(8)2-11-4;/h4-7,9-10H,1-2H2;1H2