Cas no 5652-45-9 (6-deoxy-D-allose)

6-deoxy-D-allose structure
6-deoxy-D-allose structure
Product Name:6-deoxy-D-allose
CAS No:5652-45-9
MF:C6H12O5
MW:164.156482696533
CID:1598765
PubChem ID:6453351
Update Time:2025-04-21

6-deoxy-D-allose Chemical and Physical Properties

Names and Identifiers

    • 6-deoxy-D-allose
    • Allose, 6-deoxy-
    • 6-deoxyallose
    • DTXSID601019210
    • 5652-45-9
    • 4348-84-9
    • (2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
    • DTXSID001019212
    • Allomethylose
    • SCHEMBL1746829
    • Inchi: 1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5-,6+/m1/s1
    • InChI Key: PNNNRSAQSRJVSB-MOJAZDJTSA-N
    • SMILES: O[C@H]([C@@H](C)O)[C@H]([C@H](C=O)O)O

Computed Properties

  • Exact Mass: 164.06846
  • Monoisotopic Mass: 355.105587
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 562
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 83.1
  • XLogP3: -2.4

Experimental Properties

  • Density: 1.41
  • Boiling Point: 399.1°C at 760 mmHg
  • Flash Point: 209.3°C
  • Refractive Index: 1.53
  • PSA: 97.99
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