ChemSpider 2D Image | 5-Hydroxy-2-[(3-hydroxy-5-pentylphenoxy)carbonyl]-3-pentylphenyl hexopyranosiduronic acid | C29H38O11

5-Hydroxy-2-[(3-hydroxy-5-pentylphenoxy)carbonyl]-3-pentylphenyl hexopyranosiduronic acid

  • Molecular FormulaC29H38O11
  • Average mass562.605 Da
  • Monoisotopic mass562.241394 Da
  • ChemSpider ID9585318

More details:

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

5-Hydroxy-2-[(3-hydroxy-5-pentylphenoxy)carbonyl]-3-pentylphenyl hexopyranosiduronic acid [ACD/IUPAC Name]
5-Hydroxy-2-[(3-hydroxy-5-pentylphenoxy)carbonyl]-3-pentylphenylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 5-hydroxy-2-[(3-hydroxy-5-pentylphénoxy)carbonyl]-3-pentylphényle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(hexopyranuronosyloxy)-4-hydroxy-6-pentyl-, 3-hydroxy-5-pentylphenyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 837.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 272.5±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 9.22
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 415.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement