Cas no 36807-81-5 ([(2S,3S,4R,5S,6R)-4,5,6-Triacetyloxy-2-methyloxan-3-yl] acetate)

[(2S,3S,4R,5S,6R)-4,5,6-Triacetyloxy-2-methyloxan-3-yl] acetate structure
36807-81-5 structure
Product Name:[(2S,3S,4R,5S,6R)-4,5,6-Triacetyloxy-2-methyloxan-3-yl] acetate
CAS No:36807-81-5
MF:C14H20O9
MW:332.303205490112
CID:2666104
Update Time:2024-02-29

[(2S,3S,4R,5S,6R)-4,5,6-Triacetyloxy-2-methyloxan-3-yl] acetate Chemical and Physical Properties

Names and Identifiers

    • 6-Deoxy-β-L-glucopyranose tetraacetate
    • 6-Deoxy-beta-L-glucopyranose tetraacetate
    • [(2S,3S,4R,5S,6R)-4,5,6-Triacetyloxy-2-methyloxan-3-yl] acetate
    • Inchi: 1S/C14H20O9/c1-6-11(20-7(2)15)12(21-8(3)16)13(22-9(4)17)14(19-6)23-10(5)18/h6,11-14H,1-5H3/t6-,11-,12+,13-,14+/m0/s1
    • InChI Key: QZQMGQQOGJIDKJ-AAQSURGZSA-N
    • SMILES: O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1C)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 332.111
  • Monoisotopic Mass: 332.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 487
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 114
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