dl-Triacetylquinide

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Basic information

CAS: 32384-33-1
Standard SMILES: CC(=O)OC1CC2(OC(C)=O)CC(OC2=O)C1OC(C)=O
InChIKey: MPLSNFXRNHWLOA-UHFFFAOYSA-N
Molecular formula: C13H16O8
Average molar mass: 300.26 g/mol
Monoisotopic mass: 300.08451746

Names & identifiers

Preferred name: dl-Triacetylquinide
IUPAC: (1,4-diacetyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl) acetate

Names & synonyms

dl-Triacetylquinide32384-33-1Triacetyl-L-quinideNSC281015DTXSID90330580NSC281014NSC-281014NSC-2810157-Oxo-6-oxabicyclo[3.2.1]octane-1,3,4-triyl triacetateCyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, gamma-lactone, triacetate

Database identifiers

CAS: 32384-33-1
PubChem CID: 430685
DTXSID: DTXSID90330580

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 498

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Compound notes

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