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Search term: PNHDJOMSEHCGAG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Hydroxy-2-(palmitoyloxy)propyl 4-(2,2-dimethylpropanoyl)benzoate | C31H50O6

3-Hydroxy-2-(palmitoyloxy)propyl 4-(2,2-dimethylpropanoyl)benzoate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID8896058

More details:

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

2-(hexadecanoyloxy)-3-hydroxypropyl 4-(2,2-dimethylpropanoyl)benzoate
3-Hydroxy-2-(palmitoyloxy)propyl 4-(2,2-dimethylpropanoyl)benzoate [ACD/IUPAC Name]
3-Hydroxy-2-(palmitoyloxy)propyl-4-(2,2-dimethylpropanoyl)benzoat [German] [ACD/IUPAC Name]
4-(2,2-Diméthylpropanoyl)benzoate de 3-hydroxy-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2,2-dimethyl-1-oxopropyl)-, 3-hydroxy-2-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]
4-(2,2-Dimethyl-propionyl)-benzoic acid 2-hexadecanoyloxy-3-hydroxy-propyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449032/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 623.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 188.6±19.2 °C
Index of Refraction: 1.498
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 9.91
ACD/LogD (pH 5.5): 9.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4684969.50
ACD/LogD (pH 7.4): 9.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4684969.50
Polar Surface Area: 90 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 506.9±3.0 cm3

Click to predict properties on the Chemicalize site


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