Cas no 77340-95-5 (D-Glucitol,2,4-O-(phenylmethylene)-)

D-Glucitol,2,4-O-(phenylmethylene)- structure
77340-95-5 structure
Product Name:D-Glucitol,2,4-O-(phenylmethylene)-
CAS No:77340-95-5
MF:C13H18O6
MW:270.278424739838
CID:562765
PubChem ID:11644725
Update Time:2025-04-19

D-Glucitol,2,4-O-(phenylmethylene)- Chemical and Physical Properties

Names and Identifiers

    • D-Glucitol,2,4-O-(phenylmethylene)-
    • 2,4-O-BENZYLIDENE-D-GLUCITOL
    • 1-<4-Hydroxy-1-benzolazo>-2-hydroxy-benzol
    • 2,4'-Azo-di-phenol
    • 2,4-benzylidene-D-sorbitol
    • 2,4-O-Mono-benzyliden-D-glucit
    • 2.4-Benzyliden-D-sorbit
    • 2.4'-Dihydroxy-azobenzol
    • 2.4-O-Benzyliden-D-glucitol
    • SCHEMBL468525
    • W-203289
    • UZTHQPNUYCELPZ-CEHFSTBQSA-N
    • D-Glucitol, 2,4-O-(phenylmethylene)-
    • (1R)-1-((4R,5R,6S)-5-Hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl)ethane-1,2-diol
    • DTXSID301309000
    • (1R)-1-[(4R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
    • 61340-09-8
    • 77340-95-5
    • E87239
    • Inchi: 1S/C13H18O6/c14-6-9(16)12-11(17)10(7-15)18-13(19-12)8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11-,12-,13?/m1/s1
    • InChI Key: UZTHQPNUYCELPZ-CEHFSTBQSA-N
    • SMILES: O1C(C2C=CC=CC=2)O[C@@H](CO)[C@H]([C@H]1[C@@H](CO)O)O

Computed Properties

  • Exact Mass: 270.11000
  • Monoisotopic Mass: 270.11033829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 99.4?2

Experimental Properties

  • PSA: 99.38000
  • LogP: -0.82440
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