Cas no 20479-58-7 (D-Glucitol,6-(dihydrogen phosphate))

D-Glucitol,6-(dihydrogen phosphate) structure
20479-58-7 structure
Product Name:D-Glucitol,6-(dihydrogen phosphate)
CAS No:20479-58-7
MF:C6H15O9P
MW:262.151664018631
CID:266241
PubChem ID:152306
Update Time:2025-04-19

D-Glucitol,6-(dihydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • D-Glucitol,6-(dihydrogen phosphate)
    • 1-O-PHOSPHONO-D-GLUCITOL; D-GLUCITOL-6-PHOSPHATE
    • Sorbitol-6-phosphate
    • GACTWZZMVMUKNG-SLPGGIOYSA-N
    • SCHEMBL17285
    • DTXSID101315184
    • 496BF597-EBDF-426A-9B3A-9384F6C45B5A
    • DB02548
    • Sorbitol 6-phosphate
    • 20479-58-7
    • Q27102187
    • D-sorbitol 6-phosphate
    • 6-O-phosphono-D-glucitol
    • D-SORBITOL-6-PHOSPHATE
    • [(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate
    • NS00069023
    • S6P
    • D-Glucitol, 6-(dihydrogen phosphate)
    • D-glucitol 6-(dihydrogen phosphate)
    • D-glucitol 6-phosphate
    • C01096
    • CHEBI:17044
    • Inchi: 1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
    • InChI Key: GACTWZZMVMUKNG-SLPGGIOYSA-N
    • SMILES: P(=O)(O)(O)OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O

Computed Properties

  • Exact Mass: 262.045
  • Monoisotopic Mass: 262.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 240
  • 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
  • XLogP3: -4.7
  • Topological Polar Surface Area: 168?2

Experimental Properties

  • Density: 1.844
  • Boiling Point: 701.4°Cat760mmHg
  • Flash Point: 378°C
  • PSA: 177.72000
  • LogP: -3.46840

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