ChemSpider 2D Image | 1-O-[(2R)-2-(3-Benzoylphenyl)(1-~13~C)propanoyl]-beta-D-glucopyranuronic acid | C2113CH22O9

1-O-[(2R)-2-(3-Benzoylphenyl)(1-13C)propanoyl]-β-D-glucopyranuronic acid

  • Molecular FormulaC2113CH22O9
  • Average mass431.397 Da
  • Monoisotopic mass431.129730 Da
  • ChemSpider ID8845677

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-O-[(2R)-2-(3-Benzoylphenyl)(1-13C)propanoyl]-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[(2R)-2-(3-Benzoylphenyl)(1-13C)propanoyl]-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[(2R)-2-(3-benzoylphényl)(1-13C)propanoyl]-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-O-[(2R)-2-(3-benzoylphenyl)-1-oxopropyl-1-13C]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 290.1±5.0 cm3

Click to predict properties on the Chemicalize site


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