ChemSpider 2D Image | (2S)-2-Hydroxy-2-{2-[(2R)-2-hydroxy-3-(stearoyloxy)propoxy]-2-oxoethyl}succinic acid | C27H48O10

(2S)-2-Hydroxy-2-{2-[(2R)-2-hydroxy-3-(stearoyloxy)propoxy]-2-oxoethyl}succinic acid

  • Molecular FormulaC27H48O10
  • Average mass532.664 Da
  • Monoisotopic mass532.324768 Da
  • ChemSpider ID34995007

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Hydroxy-2-{2-[(2R)-2-hydroxy-3-(stearoyloxy)propoxy]-2-oxoethyl}bernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-{2-[(2R)-2-hydroxy-3-(stearoyloxy)propoxy]-2-oxoethyl}succinic acid [ACD/IUPAC Name]
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-[(2R)-2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] ester, (2S)- [ACD/Index Name]
Acide (2S)-2-hydroxy-2-{2-[(2R)-2-hydroxy-3-(stearoyloxy)propoxy]-2-oxoéthyl}succinique [French] [ACD/IUPAC Name]
50825-78-0 [RN]
GLYCERYL STEARATE CITRATE
UNII-WH8T92A065

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

Density: 1.1±0.1 g/cm3
Boiling Point: 650.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 201.6±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): 2.96
ACD/BCF (pH 5.5): 12.87
ACD/KOC (pH 5.5): 18.00
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 2.06
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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