ChemSpider 2D Image | (~2~H_5_)Phenyl beta-D-glucopyranosiduronic acid | C12H9D5O7

(2H5)Phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC12H9D5O7
  • Average mass275.266 Da
  • Monoisotopic mass275.105347 Da
  • ChemSpider ID34450913
  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2H5)Phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(2H5)Phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (2H5)phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, phenyl-d5 [ACD/Index Name]
3S,4S,5R-trihydroxy-6S-(phenoxy-d5)tetrahydro-2H-pyran-2S-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 542.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 212.3±23.6 °C
Index of Refraction: 1.647
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 170.2±3.0 cm3

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