Cas no 7404-30-0 (D-gluco-Heptulopyranoside, methyl (8CI))

D-gluco-Heptulopyranoside, methyl (8CI) structure
7404-30-0 structure
Product Name:D-gluco-Heptulopyranoside, methyl (8CI)
CAS No:7404-30-0
MF:C8H16O7
MW:224.208443641663
CID:581236
PubChem ID:345717
Update Time:2025-04-19

D-gluco-Heptulopyranoside, methyl (8CI) Chemical and Physical Properties

Names and Identifiers

    • D-gluco-Heptulopyranoside, methyl (8CI)
    • 2,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
    • NSC-403461
    • 7404-30-0
    • NSC403462
    • DTXSID50995457
    • Methyl hept-2-ulopyranoside #
    • Methyl .alpha.-d-glucoheptuloside
    • 7404-29-7
    • NSC-403462
    • NSC403461
    • Methyl hept-2-ulopyranoside
    • CEFPSUPHYFLNRZ-UHFFFAOYSA-N
    • Inchi: 1S/C8H16O7/c1-14-8(3-10)7(13)6(12)5(11)4(2-9)15-8/h4-7,9-13H,2-3H2,1H3
    • InChI Key: CEFPSUPHYFLNRZ-UHFFFAOYSA-N
    • SMILES: O1C(CO)C(C(C(C1(CO)OC)O)O)O

Computed Properties

  • Exact Mass: 224.08958
  • Monoisotopic Mass: 224.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 211
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _2.2
  • Topological Polar Surface Area: 120?2

Experimental Properties

  • Density: 1.53g/cm3
  • Boiling Point: 450oC at 760mmHg
  • Flash Point: 225.9oC
  • Refractive Index: 1.574
  • PSA: 119.61
  • LogP: -3.20480
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