Cas no 64552-06-3 (4,6-O-benzylidene-α-D-galactopyranoside)

4,6-O-benzylidene-α-D-galactopyranoside structure
64552-06-3 structure
Product Name:4,6-O-benzylidene-α-D-galactopyranoside
CAS No:64552-06-3
MF:C14H18O6
MW:282.289124965668
CID:4729861
PubChem ID:7157219
Update Time:2024-10-28

4,6-O-benzylidene-α-D-galactopyranoside Chemical and Physical Properties

Names and Identifiers

    • 4,6-O-benzylidene-α-D-galactopyranoside
    • α-D-Galactopyranoside, methyl 4,6-O-[(S)-phenylmethylene]-
    • 64552-06-3
    • (2S,4aR,6S,7R,8R,8aR)-6-methoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
    • Inchi: 1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12+,13+,14+/m1/s1
    • InChI Key: VVSWDMJYIDBTMV-TVQXOTEMSA-N
    • SMILES: O[C@@H]1[C@H]([C@@H](OC)O[C@]2([H])CO[C@H](C3C=CC=CC=3)O[C@]12[H])O

Computed Properties

  • Exact Mass: 282.11033829g/mol
  • Monoisotopic Mass: 282.11033829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 319
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 77.4?2

4,6-O-benzylidene-α-D-galactopyranoside Related Literature

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