ChemSpider 2D Image | Docosyl 2,3-dihydroxybenzoate | C29H50O4

Docosyl 2,3-dihydroxybenzoate

  • Molecular FormulaC29H50O4
  • Average mass462.705 Da
  • Monoisotopic mass462.370911 Da
  • ChemSpider ID26350872

More details:

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

2,3-Dihydroxybenzoate de docosyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,3-dihydroxy-, docosyl ester [ACD/Index Name]
Docosyl 2,3-dihydroxybenzoate [ACD/IUPAC Name]
Docosyl-2,3-dihydroxybenzoat [German] [ACD/IUPAC Name]
1238837-50-7 [RN]
Gentiside J
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1254431/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 562.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 170.3±18.1 °C
Index of Refraction: 1.503
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 13.22
ACD/LogD (pH 5.5): 11.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 67 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 470.8±3.0 cm3

Click to predict properties on the Chemicalize site


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