ChemSpider 2D Image | 2-Phenylethyl β-D-glucopyranosiduronic acid | C14H18O7

2-Phenylethyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC14H18O7
  • Average mass298.289 Da
  • Monoisotopic mass298.105255 Da
  • ChemSpider ID30776590

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

18997-55-2 [RN]
2-Phenylethyl β-D-glucopyranosiduronic acid
2-Phenylethyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-Phenylethyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 2-phényléthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 2-phenylethyl [ACD/Index Name]
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxane-2-carboxylic acid
2-Phenylethanol glucuronide
2-Phenylethanol glucuronoside

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 538.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 203.4±23.6 °C
Index of Refraction: 1.613
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 205.0±5.0 cm3

Click to predict properties on the Chemicalize site


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