Cas no 15451-80-6 ([(2R,3R,5R,6S)-3,5,6-Triacetyloxyoxan-2-yl]methyl acetate)

[(2R,3R,5R,6S)-3,5,6-Triacetyloxyoxan-2-yl]methyl acetate structure
15451-80-6 structure
Product Name:[(2R,3R,5R,6S)-3,5,6-Triacetyloxyoxan-2-yl]methyl acetate
CAS No:15451-80-6
MF:C14H20O9
MW:332.303205490112
CID:2658207
Update Time:2023-08-06

[(2R,3R,5R,6S)-3,5,6-Triacetyloxyoxan-2-yl]methyl acetate Chemical and Physical Properties

Names and Identifiers

    • 3-Deoxy-β-D-xylo-hexopyranose tetraacetate
    • 3-Deoxy-beta-D-xylo-hexopyranose tetraacetate
    • [(2R,3R,5R,6S)-3,5,6-Triacetyloxyoxan-2-yl]methyl acetate
    • Inchi: 1S/C14H20O9/c1-7(15)19-6-13-11(20-8(2)16)5-12(21-9(3)17)14(23-13)22-10(4)18/h11-14H,5-6H2,1-4H3/t11-,12-,13-,14-/m1/s1
    • InChI Key: TWQVUVQFUFLAHX-AAVRWANBSA-N
    • SMILES: O1[C@H]([C@@H](C[C@H]([C@H]1COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 9
  • Complexity: 473
  • XLogP3: 1
  • Topological Polar Surface Area: 114

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