Cas no 733011-73-9 (9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)-)

9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)- structure
733011-73-9 structure
Product Name:9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)-
CAS No:733011-73-9
MF:C10H16O4
MW:200.231643676758
CID:559407
Update Time:2024-03-05

9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)- Chemical and Physical Properties

Names and Identifiers

    • 9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)-
    • 9-Oxabicyclo[4.2.1]nonane-2,5-diol,monoacetate, (1S,2S,5R,6R)- (9CI)
    • 9-Oxabicyclo[4.2.1]nonane-2,5-diol,monoacetate,(1S,2S,5R,6R)-(9CI)
    • Inchi: 1S/C10H16O4/c1-6(11)13-9-3-2-7(12)8-4-5-10(9)14-8/h7-10,12H,2-5H2,1H3/t7-,8-,9+,10+/m1/s1
    • InChI Key: SJSFSIZPNOCKHN-IMSYWVGJSA-N
    • SMILES: [C@]12([H])O[C@]([H])(CC1)[C@H](O)CC[C@@H]2OC(=O)C

Computed Properties

  • Exact Mass: 200.105
  • Monoisotopic Mass: 200.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 228
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.8A^2
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