ChemSpider 2D Image | 2-Hydroxy-2-(2-{[1-hydroxy-3-(stearoyloxy)-2-propanyl]oxy}-2-oxoethyl)succinic acid | C27H48O10

2-Hydroxy-2-(2-{[1-hydroxy-3-(stearoyloxy)-2-propanyl]oxy}-2-oxoethyl)succinic acid

  • Molecular FormulaC27H48O10
  • Average mass532.664 Da
  • Monoisotopic mass532.324768 Da
  • ChemSpider ID8384296

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-[2-hydroxy-1-[[(1-oxooctadecyl)oxy]methyl]ethyl] ester [ACD/Index Name]
2-Hydroxy-2-(2-{[1-hydroxy-3-(stearoyloxy)-2-propanyl]oxy}-2-oxoethyl)bernsteinsäure [German] [ACD/IUPAC Name]
2-Hydroxy-2-(2-{[1-hydroxy-3-(stearoyloxy)-2-propanyl]oxy}-2-oxoethyl)succinic acid [ACD/IUPAC Name]
Acide 2-hydroxy-2-(2-{[1-hydroxy-3-(stearoyloxy)-2-propanyl]oxy}-2-oxoéthyl)succinique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 640.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 197.8±25.0 °C
Index of Refraction: 1.499
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 9.91
ACD/KOC (pH 5.5): 14.70
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 168 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 465.9±3.0 cm3

Click to predict properties on the Chemicalize site


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