Cas no 54173-03-4 (D-Glucaric acid, sodiumsalt (1:2))

D-Glucaric acid, sodiumsalt (1:2) structure
54173-03-4 structure
Product Name:D-Glucaric acid, sodiumsalt (1:2)
CAS No:54173-03-4
MF:C6H8Na2O8
MW:254.102464675903
CID:371558
PubChem ID:6452946
Update Time:2025-04-19

D-Glucaric acid, sodiumsalt (1:2) Chemical and Physical Properties

Names and Identifiers

    • D-Glucaric acid, sodiumsalt (1:2)
    • disodium D-glucarate
    • disodium,(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
    • disodium (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)
    • 54173-03-4
    • IDAGXRIGDWCIET-SDFKWCIISA-L
    • SCHEMBL284762
    • DTXSID60202523
    • sodium saccharate
    • NS00089134
    • EINECS 259-013-7
    • Inchi: 1S/C6H10O8.2Na/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2/t1-,2-,3-,4+;;/m0../s1
    • InChI Key: IDAGXRIGDWCIET-SDFKWCIISA-L
    • SMILES: [Na+].[Na+].O[C@H]([C@@H](C(=O)[O-])O)[C@@H]([C@H](C(=O)[O-])O)O

Computed Properties

  • Exact Mass: 254.001457
  • Monoisotopic Mass: 254.001457
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 191
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 161

Experimental Properties

  • Boiling Point: 766.4°Cat760mmHg
  • Flash Point: 431.2°C
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