ChemSpider 2D Image | 12-(Phosphonatooxy)octadecanoate | C18H34O6P

12-(Phosphonatooxy)octadecanoate

  • Molecular FormulaC18H34O6P
  • Average mass377.434 Da
  • Monoisotopic mass377.210938 Da
  • ChemSpider ID34999578

  • Charge - Charge

More details:

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

12-(Phosphonatooxy)octadecanoat [German] [ACD/IUPAC Name]
12-(Phosphonatooxy)octadecanoate [ACD/IUPAC Name]
12-(Phosphonatooxy)octadécanoate [French] [ACD/IUPAC Name]
Octadecanoic acid, 12-(phosphonooxy)-, ion(3-) [ACD/Index Name]
12-(phosphonooxy)octadecanoate(3-)
12-(phosphooxy)octadecanoate
12-phosphonooxyoctadecanoate
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of 12-(phosphonooxy)octadecanoic acid; major species at pH 7.3. ChEBI CHEBI:85134

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

Density:
Boiling Point: 539.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 280.2±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement