Cas no 156881-25-3 (b-D-Glucopyranosiduronic acid,methyl 4-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-)

b-D-Glucopyranosiduronic acid,methyl 4-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]- structure
156881-25-3 structure
Product Name:b-D-Glucopyranosiduronic acid,methyl 4-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-
CAS No:156881-25-3
MF:C15H25NO12
MW:411.358505964279
CID:181778
PubChem ID:190857
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid,methyl 4-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid,methyl 4-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-
    • Glcnac-1-4-glca
    • methyl 4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-beta-D-glucopyranosiduronic acid
    • Methyl-2-acetamido-2-deoxyglucopyranosyl-1-4-glucopyranosiduronic acid
    • DTXSID70935557
    • 156881-25-3
    • (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
    • Methyl 4-O-{2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}hexopyranosiduronic acid
    • Inchi： 1S/C15H25NO12/c1-4(18)16-6-8(20)7(19)5(3-17)26-14(6)27-11-9(21)10(22)15(25-2)28-12(11)13(23)24/h5-12,14-15,17,19-22H,3H2,1-2H3,(H,16,18)(H,23,24)/t5-,6-,7-,8-,9-,10-,11+,12+,14+,15-/m1/s1
    • InChI Key： GXMRSXSVVLWYCI-XTLSIONJSA-N
    • SMILES： O([C@@H]1[C@@H](C(=O)O)O[C@H]([C@@H]([C@H]1O)O)OC)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)NC(C)=O

Computed Properties

  • Exact Mass: 411.138
  • Monoisotopic Mass: 411.138
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 561
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4
  • Topological Polar Surface Area: 205?2

Experimental Properties

  • Density: 1.61
  • Boiling Point: 806.4°Cat760mmHg
  • Flash Point: 441.5°C
  • Refractive Index: 1.6

b-D-Glucopyranosiduronic acid,methyl 4-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]- Related Literature

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