Cas no 72561-26-3 ((3R,4S,5R)-3,4,5,6-Tetrahydroxy(114C)hexanal)

(3R,4S,5R)-3,4,5,6-Tetrahydroxy(114C)hexanal structure
72561-26-3 structure
Product Name:(3R,4S,5R)-3,4,5,6-Tetrahydroxy(114C)hexanal
CAS No:72561-26-3
MF:C6H12O5
MW:166.149024009705
CID:562007
PubChem ID:44119309
Update Time:2025-04-19

(3R,4S,5R)-3,4,5,6-Tetrahydroxy(114C)hexanal Chemical and Physical Properties

Names and Identifiers

    • 2-Deoxy-D-glucose-14C(U)
    • 4,6-dideoxy-D-xylo-hexopyranose
    • 4-Deoxy-L-fucose
    • SCHEMBL10691309
    • 72561-26-3
    • (3R,4S,5R)-3,4,5,6-Tetrahydroxy(114C)hexanal
    • Inchi: 1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i2+2
    • InChI Key: VRYALKFFQXWPIH-GVQCHKFTSA-N
    • SMILES: O[C@H]([C@@H](CO)O)[C@@H](C[14CH]=O)O

Computed Properties

  • Exact Mass: 166.072
  • Monoisotopic Mass: 166.072
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 116
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98A^2
  • XLogP3: -2.9

Experimental Properties

  • Color/Form: White crystalline solid
  • Density: 1.366
  • Melting Point: 152-154
  • Boiling Point: 281.035°C at 760 mmHg
  • Flash Point: 123.766°C
  • Refractive Index: 1.542
  • PSA: 97.99000
  • LogP: -2.34960

(3R,4S,5R)-3,4,5,6-Tetrahydroxy(114C)hexanal Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:UN 2910 7
  • Hazard Category Code: 36/37/38-11
  • Safety Instruction: 16-26-36
  • Hazardous Material Identification: R Xi F
  • Risk Phrases:R36/37/38
  • Storage Condition:?20°C

(3R,4S,5R)-3,4,5,6-Tetrahydroxy(114C)hexanal Pricemore >>

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