ChemSpider 2D Image | (9S,10S)-9,10-Dihydroxyoctadecanoate | C18H35O4

(9S,10S)-9,10-Dihydroxyoctadecanoate

  • Molecular FormulaC18H35O4
  • Average mass315.469 Da
  • Monoisotopic mass315.254089 Da
  • ChemSpider ID26331367

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9S,10S)-9,10-Dihydroxyoctadecanoat [German] [ACD/IUPAC Name]
(9S,10S)-9,10-Dihydroxyoctadecanoate [ACD/IUPAC Name]
(9S,10S)-9,10-Dihydroxyoctadécanoate [French] [ACD/IUPAC Name]
Octadecanoic acid, 9,10-dihydroxy-, ion(1-), (9S,10S)- [ACD/Index Name]
(9S,10S)-9,10-dihydroxystearate
(S,S)-9,10-dihydroxyoctadecanoate
  • Miscellaneous

    • Chemical Class:

      A hydroxy fatty acid anion that is the conjugate base of (S,S)-9,10-dihydroxyoctadecanoic acid. ChEBI CHEBI:58797

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

Density:
Boiling Point: 481.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 259.2±19.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 144.53
ACD/KOC (pH 5.5): 725.76
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 11.64
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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