Haliclonol

HCID 178653

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Basic information

CAS: 142450-10-0
Standard SMILES: O=C1C[C@@H](CO)OC[C@@H]1O
InChIKey: PBWGPVKLJDUIJH-NJGYIYPDSA-N
Molecular formula: C6H10O4
Average molar mass: 146.14 g/mol
Monoisotopic mass: 146.0579088

Names & identifiers

Preferred name: Haliclonol
IUPAC: (2S,5S)-5-hydroxy-2-(hydroxymethyl)oxan-4-one

Names & synonyms

Haliclonol2(S)-Dihydroascopyrone T142450-10-04H-Pyran-4-one, tetrahydro-5-hydroxy-2-(hydroxymethyl)-, (2S-trans)-RefChem:145052DTXSID609314621,5-Anhydro-4-deoxyhex-3-ulose1,5-anhydro-4-deoxy-D-erythro-hex-3-ulose(2S-trans)-tetrahydro-5-hydroxy-2-(hydroxymethyl)-4H-Pyran-4-one

Database identifiers

CAS: 142450-10-0
PubChem CID: 178653
DTXSID: DTXSID60931462

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 134

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