Cas no 305-58-8 (a-D-Glucopyranose,1,6-bis(dihydrogen phosphate))

a-D-Glucopyranose,1,6-bis(dihydrogen phosphate) structure
305-58-8 structure
Product Name:a-D-Glucopyranose,1,6-bis(dihydrogen phosphate)
CAS No:305-58-8
MF:C6H14O12P2
MW:340.115684986115
CID:304144
PubChem ID:10404962
Update Time:2025-04-19

a-D-Glucopyranose,1,6-bis(dihydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranose,1,6-bis(dihydrogen phosphate)
    • D-GLUCOSE-1,6-DIPHOSPHATE
    • 1,6-Di-O-phosphono-D-glucose
    • glucopyranosylidene-spiro-thiohydantoin
    • glucose 1,6-diphosphate
    • Glucose-1,6-diphosphat
    • glucosee 1,6-diphosphate
    • [(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
    • D-Glucopyranose 1,6-bis(dihydrogen phosphate)
    • 305-58-8
    • DTXSID001246657
    • Inchi: 1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6?/m1/s1
    • InChI Key: RWHOZGRAXYWRNX-GASJEMHNSA-N
    • SMILES: P(=O)(O)(O)OC1[C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O1)O)O)O

Computed Properties

  • Exact Mass: 339.99600
  • Monoisotopic Mass: 339.99604987g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 414
  • 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: -5.3
  • Topological Polar Surface Area: 203?2

Experimental Properties

  • PSA: 223.06000
  • LogP: -2.98740

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