Cas no 157027-59-3 (a-D-Glucopyranose,2-(acetylamino)-4-O-(1-carboxyethyl)-2-deoxy-, (S)- (9CI))

a-D-Glucopyranose,2-(acetylamino)-4-O-(1-carboxyethyl)-2-deoxy-, (S)- (9CI) structure
157027-59-3 structure
Product Name:a-D-Glucopyranose,2-(acetylamino)-4-O-(1-carboxyethyl)-2-deoxy-, (S)- (9CI)
CAS No:157027-59-3
MF:C11H19NO8
MW:293.2704641819
CID:171606
PubChem ID:190862
Update Time:2025-04-19

a-D-Glucopyranose,2-(acetylamino)-4-O-(1-carboxyethyl)-2-deoxy-, (S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranose,2-(acetylamino)-4-O-(1-carboxyethyl)-2-deoxy-, (S)- (9CI)
    • 2-(acetylamino)-4-O-[(1S)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose
    • 2-Acetamido-4-O-(1-carboxyethyl)-2-deoxyglucose
    • 4-O-Nacmur
    • DTXSID30935598
    • 157027-59-3
    • 4-O-(1-Carboxyethyl)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose
    • (2S)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropanoic acid
    • Inchi： 1S/C11H19NO8/c1-4(10(16)17)19-9-6(3-13)20-11(18)7(8(9)15)12-5(2)14/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6+,7+,8+,9+,11-/m0/s1
    • InChI Key： CPRBVTZNVRIVGJ-ZSDRWIAPSA-N
    • SMILES： O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O[C@H](C(=O)O)C)O)NC(C)=O)O

Computed Properties

  • Exact Mass: 293.11107
  • Monoisotopic Mass: 293.111067
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 362
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 146
  • XLogP3: -2.6

Experimental Properties

  • Density: 1.46
  • Boiling Point: 696.5°Cat760mmHg
  • Flash Point: 375°C
  • Refractive Index: 1.557
  • PSA: 153.39

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