Cas no 7182-77-6 (Sodium (2S,3S,4S,5R)-rel-2,3,4,5-tetrahydroxy-6-oxohexanoate)

Sodium (2S,3S,4S,5R)-rel-2,3,4,5-tetrahydroxy-6-oxohexanoate structure
7182-77-6 structure
Product Name:Sodium (2S,3S,4S,5R)-rel-2,3,4,5-tetrahydroxy-6-oxohexanoate
CAS No:7182-77-6
MF:C9H6FN
MW:147.149045467377
CID:95460
Update Time:2026-05-14

Sodium (2S,3S,4S,5R)-rel-2,3,4,5-tetrahydroxy-6-oxohexanoate Chemical and Physical Properties

Names and Identifiers

    • Sodium (2S,3S,4S,5R)-rel-2,3,4,5-tetrahydroxy-6-oxohexanoate
    • 4-FLUOROCINNAMONITRILE
    • glucuronicacid,monosodiumsalt
    • Monosodium glucuronate
    • Sodium Glucoronic
    • Sodium Glucurononate
    • URSODEOXYCHOLICACID
    • Inchi: InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1
    • InChI Key: WNFHGZLVUQBPMA-UHFFFAOYSA-M
    • SMILES: [Na+].O=CC(C(C(C(C([O-])=O)O)O)O)O

Computed Properties

  • Exact Mass: 147.04800
  • Monoisotopic Mass: 216.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 197
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 138A^2

Experimental Properties

  • Boiling Point: 553.4oC at 760 mmHg
  • Flash Point: 302.6oC
  • PSA: 23.79000
  • LogP: 2.36248

Sodium (2S,3S,4S,5R)-rel-2,3,4,5-tetrahydroxy-6-oxohexanoate Pricemore >>

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