[2,3a(2)-Bifuran]-5-propanoic acid, I+/--(acetyloxy)-2,3,4,5-tetrahydro-2,5-dimethyl-, methyl ester, [2S-[2I+/-,5I+/-(R*)]]-

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Basic information

CAS: 101046-37-1
Standard SMILES: COC(=O)[C@H](C[C@@]1(C)CC[C@@](C)(c2ccoc2)O1)OC(C)=O
InChIKey: XONIPSMOPUKLRQ-IMJJTQAJSA-N
Molecular formula: C16H22O6
Average molar mass: 310.34 g/mol
Monoisotopic mass: 310.14163842

Names & identifiers

Preferred name: [2,3a(2)-Bifuran]-5-propanoic acid, I+/--(acetyloxy)-2,3,4,5-tetrahydro-2,5-dimethyl-, methyl ester, [2S-[2I+/-,5I+/-(R*)]]-
IUPAC: methyl (2S)-2-acetyloxy-3-[(2R,5S)-5-(furan-3-yl)-2,5-dimethyloxolan-2-yl]propanoate

Names & synonyms

DTXSID901107597[2,3a(2)-Bifuran]-5-propanoic acid, I+/--(acetyloxy)-2,3,4,5-tetrahydro-2,5-dimethyl-, methyl ester, [2S-[2I+/-,5I+/-(R*)]]-101046-37-1

Database identifiers

CAS: 101046-37-1
PubChem CID: 165367332
DTXSID: DTXSID901107597

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 75 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 436

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Compound notes

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