Cas no 5349-37-1 (D-gluco-2-Heptulose(9CI))

D-gluco-2-Heptulose(9CI) structure
D-gluco-2-Heptulose(9CI) structure
Product Name:D-gluco-2-Heptulose(9CI)
CAS No:5349-37-1
MF:C7H14O7
MW:210.181863307953
CID:373782
PubChem ID:111066
Update Time:2025-04-19

D-gluco-2-Heptulose(9CI) Chemical and Physical Properties

Names and Identifiers

    • D-gluco-2-Heptulose(9CI)
    • D-GLUCOHEPTULOSE
    • 1,2,3,4,5,6-hexa-o-nitrohexitol
    • AC1L3BP5
    • AC1Q28K9
    • AC1Q5B4R
    • AR-1B5057
    • D-Glucit-hexanitrat
    • D-Glucitol hexanitrate
    • D-gluco-[2]heptulose
    • D-gluco-1,2,5,6-Tetramethoxy-hexan-3,4-diol
    • D-gluco-1,3,4,5,6,7-Hexahydroxy-heptan-2-on
    • D-gluco-Heptulose
    • D-Sorbit-hexanitrat
    • EINECS 241-156-1
    • gluco-heptulose
    • Hexanitrosorbit
    • hexa-O-nitro-D-glucitol
    • KST-1B0984
    • L-gluco-Heptulose
    • Mannitol, hexanitrate
    • O1,O2,O5,O6-tetramethyl-D-glucitol
    • SCHEMBL82133
    • DTXSID501315548
    • D-Gluco-2-heptulose
    • (3R,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one
    • EINECS 226-310-8
    • 5349-37-1
    • Inchi: 1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6+,7+/m1/s1
    • InChI Key: HSNZZMHEPUFJNZ-UMWONPOSSA-N
    • SMILES: O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(CO)=O)O)O

Computed Properties

  • Exact Mass: 210.07395278g/mol
  • Monoisotopic Mass: 210.07395278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 183
  • 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: -3.9
  • Topological Polar Surface Area: 138?2
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