ChemSpider 2D Image | (2R,3R)-2-Hydroxy-3-(stearoyloxy)succinic acid | C22H40O7

(2R,3R)-2-Hydroxy-3-(stearoyloxy)succinic acid

  • Molecular FormulaC22H40O7
  • Average mass416.549 Da
  • Monoisotopic mass416.277405 Da
  • ChemSpider ID57551791
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3R)-2-Hydroxy-3-(stearoyloxy)bernsteinsäure [German] [ACD/IUPAC Name]
(2R,3R)-2-Hydroxy-3-(stearoyloxy)succinic acid [ACD/IUPAC Name]
Acide (2R,3R)-2-hydroxy-3-(stearoyloxy)succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-3-[(1-oxooctadecyl)oxy]-, (2R,3R)- [ACD/Index Name]
(2R,3R)-2-Hydroxy-3-(octadecanoyloxy)butanedioic acid
72654-73-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 558.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 181.1±23.6 °C
Index of Refraction: 1.488
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 5.95
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 4.95
Polar Surface Area: 121 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 382.7±3.0 cm3

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