Cas no 3082-95-9 (2,3,4-Tri-O-acetyl-D-glucuronic Acid Methyl Ester)

2,3,4-Tri-O-acetyl-D-glucuronic Acid Methyl Ester structure
3082-95-9 structure
Product Name:2,3,4-Tri-O-acetyl-D-glucuronic Acid Methyl Ester
CAS No:3082-95-9
MF:C13H18O10
MW:334.276025295258
CID:312110
PubChem ID:10871345
Update Time:2025-04-19

2,3,4-Tri-O-acetyl-D-glucuronic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • D-Glucopyranuronicacid, methyl ester, 2,3,4-triacetate
    • (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-methoxyoxane-2-carboxylic acid
    • METHYL 2,3,4-TRI-O-ACETYL-D-GLUCOPYRANOSYLURONATE
    • 2,3,4-tri-O-acetyl-D-glucuronic acid methyl ester
    • Glucopyranuronic acid,methyl ester,2,3,4-triacetate,D
    • methyl 2,3,4-tri-O-acetyl-D-glucopyranose uronate
    • SCHEMBL7619709
    • methyl 2,3,4-tri-O-acetyl-D-glucopyranuronate
    • AKOS030242913
    • (3R,4S,5S,6S)-2-Hydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
    • MFCD08703797
    • 2,3,4-Tri-O-acetyl-alpha-D-glucuronicacidmethylester
    • Methyl-(2,3,4-tri-O-acetyl-a-D-glucopyranosyl)uronate
    • 2,3,4-Tri-O-acetyl-D-glucuronicacidmethyl ester
    • methyl (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-hydroxyoxane-2-carboxylate
    • 2,3,4-Tri-O-acetyl-D-glucuronide methyl ester
    • methyl 2,3,4-tri-O-acetyl-alpha,beta-d-glucopyranuronate
    • BCP20565
    • 3082-95-9
    • CLHFNXQWJBTGBL-HTGOSZRMSA-N
    • 2,3,4-Tri-O-acetyl-D-glucuronic Acid Methyl Ester
    • Inchi： 1S/C13H18O10/c1-5(14)20-8-9(21-6(2)15)11(22-7(3)16)13(18)23-10(8)12(17)19-4/h8-11,13,18H,1-4H3/t8-,9-,10-,11+,13?/m0/s1
    • InChI Key： CLHFNXQWJBTGBL-HTGOSZRMSA-N
    • SMILES： O1C([C@@H]([C@H]([C@@H]([C@H]1C(=O)OC)OC(C)=O)OC(C)=O)OC(C)=O)O

Computed Properties

  • Exact Mass: 334.09000
  • Monoisotopic Mass: 334.089997
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 487
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 135
  • XLogP3: -0.8

Experimental Properties

  • Density: 1.37
  • Melting Point: 103-105°C
  • Boiling Point: 430.6°Cat760mmHg
  • Flash Point: 154.3°C
  • Refractive Index: 1.492
  • PSA: 134.66000
  • LogP: -1.32830

2,3,4-Tri-O-acetyl-D-glucuronic Acid Methyl Ester Pricemore >>

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