ChemSpider 2D Image | 4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide | C17H22O9

4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide

  • Molecular FormulaC17H22O9
  • Average mass370.351 Da
  • Monoisotopic mass370.126373 Da
  • ChemSpider ID35031667

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

1-O-(4-Hydroxy-5-phenylpentanoyl)-L-glucopyranuronic acid [ACD/IUPAC Name]
1-O-(4-Hydroxy-5-phenylpentanoyl)-L-glucopyranuronsäure [German] [ACD/IUPAC Name]
4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide
Acide 1-O-(4-hydroxy-5-phénylpentanoyl)-L-glucopyranuronique [French] [ACD/IUPAC Name]
L-Glucopyranuronic acid, 1-O-(4-hydroxy-1-oxo-5-phenylpentyl)- [ACD/Index Name]
(2R,3R,4R,5S)-3,4,5-trihydroxy-6-[(4-hydroxy-5-phenylpentanoyl)oxy]oxane-2-carboxylic acid

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: 642.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 232.8±25.0 °C
Index of Refraction: 1.617
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 248.5±5.0 cm3

Click to predict properties on the Chemicalize site


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