Cas no 87702-53-2 (3,5a-dihydroxy-8-methoxy-8-methylhexahydro-2H,5H-furo[3'',2'':2,3]furo[3,4-b]pyran-5-one)

3,5a-dihydroxy-8-methoxy-8-methylhexahydro-2H,5H-furo[3'',2'':2,3]furo[3,4-b]pyran-5-one structure
87702-53-2 structure
Product Name:3,5a-dihydroxy-8-methoxy-8-methylhexahydro-2H,5H-furo[3'',2'':2,3]furo[3,4-b]pyran-5-one
CAS No:87702-53-2
MF:C11H16O7
MW:260.240544319153
CID:992813
PubChem ID:343357
Update Time:2025-04-20

3,5a-dihydroxy-8-methoxy-8-methylhexahydro-2H,5H-furo[3'',2'':2,3]furo[3,4-b]pyran-5-one Chemical and Physical Properties

Names and Identifiers

    • 3,5a-dihydroxy-8-methoxy-8-methylhexahydro-2H,5H-furo[3'',2'':2,3]furo[3,4-b]pyran-5-one
    • <3S-(3α,3aα,5aβ,8α,9aS*)>-3,5a-dihydroxy-8-methoxy-8-methyl-hexahydro-2H,5H-furo<3',2':2,3>furo<3,4-b>pyran-5-one
    • NSC-382773
    • 87702-53-2
    • 3,5a-Dihydroxy-8-methoxy-8-methylhexahydro-2H,5H-furo(3',2':2,3)furo(3,4-b)pyran-5-one
    • DTXSID001007760
    • NSC382773
    • 3,5a-Dihydroxy-8-methoxy-8-methylhexahydro-2H,5H-furo[3',2':2,3]furo[3,4-b]pyran-5-one
    • NSC 382773
    • DS-013933
    • 3,5A-DIHYDROXY-8-METHOXY-8-METHYLHEXAHYDRO-2H,5H-FURO(3,2:2,3)FURO(3,4-B)PYRAN-5-ONE
    • Inchi: 1S/C11H16O7/c1-9(15-2)3-4-10(14)8(13)17-7-6(12)5-16-11(7,10)18-9/h6-7,12,14H,3-5H2,1-2H3
    • InChI Key: DTVTXEVTKOUGQT-UHFFFAOYSA-N
    • SMILES: O1C(C)(CCC2(C(=O)OC3C(COC123)O)O)OC

Computed Properties

  • Exact Mass: 260.08960285g/mol
  • Monoisotopic Mass: 260.08960285g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 399
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.3
  • Topological Polar Surface Area: 94.4?2

3,5a-dihydroxy-8-methoxy-8-methylhexahydro-2H,5H-furo[3'',2'':2,3]furo[3,4-b]pyran-5-one Related Literature

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