ChemSpider 2D Image | 1-O-[2-(Methoxycarbonyl)benzoyl]-beta-D-glucopyranuronic acid | C15H16O10

1-O-[2-(Methoxycarbonyl)benzoyl]-β-D-glucopyranuronic acid

  • Molecular FormulaC15H16O10
  • Average mass356.281 Da
  • Monoisotopic mass356.074341 Da
  • ChemSpider ID57530440

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-[2-(Methoxycarbonyl)benzoyl]-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[2-(Methoxycarbonyl)benzoyl]-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[2-(méthoxycarbonyl)benzoyl]-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-[2-(methoxycarbonyl)benzoate] [ACD/Index Name]
53819-80-0 [RN]
Monomethyl Phthalate O-|A-D-Glucuronide
Monomethyl Phthalate O-β-D-Glucuronide
Monomethyl Phthalate O-β-D-Glucuronide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 578.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 213.7±23.6 °C
Index of Refraction: 1.625
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 220.6±5.0 cm3

Click to predict properties on the Chemicalize site


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