6-(3-Benzyloxy-2-propyl)-2-hydroxy-2,3,7-trimethylhexahydro-4H-furo(3,2-c)pyran-4-one

HCID 130397

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Basic information

CAS: 125225-47-0
Standard SMILES: CC(COCc1ccccc1)[C@@H]1OC(=O)[C@@H]2[C@@H](O[C@](C)(O)[C@H]2C)[C@@H]1C
InChIKey: RQQGOIZOEWMGCF-XIJPTECNSA-N
Molecular formula: C20H28O5
Average molar mass: 348.4 g/mol
Monoisotopic mass: 348.19367399

Overview

structure given in first source; a rearrangement product of pyranone derivatives in the tirandamycin A series

Names & identifiers

Preferred name: 6-(3-Benzyloxy-2-propyl)-2-hydroxy-2,3,7-trimethylhexahydro-4H-furo(3,2-c)pyran-4-one
IUPAC: (2S,3S,3aS,6S,7S,7aS)-2-hydroxy-2,3,7-trimethyl-6-(1-phenylmethoxypropan-2-yl)-3a,6,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-one
English name: 6-(3-benzyloxy-2-propyl)-2-hydroxy-2,3,7-trimethylhexahydro-4H-furo(3,2-c)pyran-4-one
Molecular formula: C20H28O5
Molecular weight: 348.43

Names & synonyms

6-Bopho-2,3,7-tmehfp125225-47-06-(3-Benzyloxy-2-propyl)-2-hydroxy-2,3,7-trimethylhexahydro-4H-furo(3,2-c)pyran-4-oneRefChem:104020(2S,3S,3aS,6S,7S,7aS)-2-hydroxy-2,3,7-trimethyl-6-(1-phenylmethoxypropan-2-yl)-3a,6,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-one2-hydroxy-2,3,7-trimethyl-6-(1-phenylmethoxypropan-2-yl)-3a,6,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-oneDTXSID50925052(2S,3S,3aS,6S,7S,7aS)-6-[1-(Benzyloxy)propan-2-yl]-2-hydroxy-2,3,7-trimethylhexahydro-4H-furo[3,2-c]pyran-4-one4H-Furo(3,2-c)pyran-4-one, hexahydro-2-hydroxy-2,3,7-trimethyl-6-(1-methyl-2-(phenylmethoxy)ethyl)-, (2alpha,3alpha,3aalpha,6beta(R*),7alpha,7aalpha)-(+-)-6-[1-(Benzyloxy)propan-2-yl]-2-hydroxy-2,3,7-trimethylhexahydro-4H-furo[3,2-c]pyran-4-one4H-Furo[3,2-c]pyran-4-one, hexahydro-2-hydroxy-2,3,7-trimethyl-6-[(1R)-1-methyl-2-(phenylmethoxy)ethyl]-, (2R,3S,3aS,6R,7S,7aS)-rel-

Database identifiers

CAS: 125225-47-0
PubChem CID: 130397
DTXSID: DTXSID50925052

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 65 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 475

Chemistry & industry

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济南思考化学有限公司0531-0000 · [email protected]

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