Cas no 4356-84-7 (methylglucopyranosiduronic acid)

methylglucopyranosiduronic acid structure
4356-84-7 structure
Product Name:methylglucopyranosiduronic acid
CAS No:4356-84-7
MF:C7H12O7
MW:208.165983200073
CID:929037
PubChem ID:165220
Update Time:2025-04-19

methylglucopyranosiduronic acid Chemical and Physical Properties

Names and Identifiers

    • methylglucopyranosiduronic acid
    • (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
    • BOFXVYGDIRCHEQ-GHQVIJFQSA-N
    • DTXSID80963048
    • Epitope ID:116887
    • (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic acid
    • CHEBI:53688
    • Methyl-beta-D-glucopyranosiduronic acid
    • methyl beta-D-glucuronoside
    • methyl beta-D-glucopyranosiduronic acid
    • Methyl hexopyranosiduronic acid
    • Methyl beta-glucuronide
    • SCHEMBL185268
    • beta-methyl-D-glucuronoside
    • CS-0100931
    • O(1)-methyl-beta-D-glucopyranuronic acid
    • MGPSU
    • 4356-84-7
    • Q27124166
    • beta-D-Glucopyranosiduronic acid, methyl-
    • SCHEMBL12013891
    • methyl-beta-D-glucuronoside
    • Inchi: 1S/C7H12O7/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5-,7+/m0/s1
    • InChI Key: BOFXVYGDIRCHEQ-GHQVIJFQSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)OC

Computed Properties

  • Exact Mass: 208.05830272g/mol
  • Monoisotopic Mass: 208.05830272g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.8
  • Topological Polar Surface Area: 116?2

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