3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-one

HCID 345712

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Basic information

CAS: 7404-25-3
Standard SMILES: COC1C(CO)OC(=O)C(O)C1O
InChIKey: HXDOZLRAURBSLZ-UHFFFAOYSA-N
Molecular formula: C7H12O6
Average molar mass: 192.17 g/mol
Monoisotopic mass: 192.0633881

Names & identifiers

Preferred name: 3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-one
IUPAC: 3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-one

Names & synonyms

NSC4034547404-25-33,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-oneSCHEMBL245076704-Methylmannonic.delta.- lactoneDTXSID00323266HXDOZLRAURBSLZ-UHFFFAOYSA-ND-Mannonic acid, .delta.-lactoneNSC-403454

Database identifiers

CAS: 7404-25-3
PubChem CID: 345712
DTXSID: DTXSID00323266

Properties

Computed structural properties

XLogP: -2
Topological polar surface area: 96.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 193

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