ChemSpider 2D Image | (S)-2-hydroxystearate | C18H35O3

(S)-2-hydroxystearate

  • Molecular FormulaC18H35O3
  • Average mass299.469 Da
  • Monoisotopic mass299.259155 Da
  • ChemSpider ID20015831

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxyoctadecanoat [German] [ACD/IUPAC Name]
(2S)-2-Hydroxyoctadecanoate [ACD/IUPAC Name]
(2S)-2-Hydroxyoctadécanoate [French] [ACD/IUPAC Name]
(S)-2-hydroxystearate
Octadecanoic acid, 2-hydroxy-, ion(1-), (2S)- [ACD/Index Name]
(S)-2-hydroxyoctadecanoate
(S)-2-hydroxyoctadecanoate anion
(S)-2-hydroxyoctadecanoic acid anion
(S)-2-hydroxystearate anion
(S)-2-hydroxystearate(1-)
  • Miscellaneous

    • Chemical Class:

      A 2-hydroxyoctadecanoate that has S configuration. The conjugate base of (S)-2-hydroxystearic acid obtained via deprotonation of the carboxy group; major species at p; H 7.3. ChEBI CHEBI:58386
      A 2-hydroxyoctadecanoate that has S configuration. The conjugate base of (S)-2-hydroxystearic acid obtained via deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:58386

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

Density:
Boiling Point: 432.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 229.6±17.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 825.92
ACD/KOC (pH 5.5): 1073.98
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 28.99
ACD/KOC (pH 7.4): 37.69
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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