ChemSpider 2D Image | 3-[(9Z)-9-Octadecenoyloxy]-2-oxopropyl phosphate | C21H37O7P

3-[(9Z)-9-Octadecenoyloxy]-2-oxopropyl phosphate

  • Molecular FormulaC21H37O7P
  • Average mass432.489 Da
  • Monoisotopic mass432.228790 Da
  • ChemSpider ID31150322

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

3-[(9Z)-9-Octadecenoyloxy]-2-oxopropyl phosphate [ACD/IUPAC Name]
3-[(9Z)-9-Octadecenoyloxy]-2-oxopropylphosphat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-oxo-3-(phosphonooxy)propyl ester, ion(2-), (9Z)- [ACD/Index Name]
Phosphate de 3-[(9Z)-9-octadecenoyloxy]-2-oxopropyle [French] [ACD/IUPAC Name]
1-(9Z)-octadecenoyl-DHAP(2-)
1-(9Z)-octadecenoylglycerone 3-phosphate
1-(9Z)-octadecenoylglycerone 3-phosphate(2-)
1-oleoyl-2-lyso-dihydroxyacetone phosphate
1-oleoyl-2-lyso-glycerone phosphate
1-oleoylglycerone 3-phosphate(2-)
More...
  • Miscellaneous

    • Chemical Class:

      A 1-acylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoylglycerone 3-phosphate; major species at pH 7.3. ChEBI CHEBI:77492

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

Density:
Boiling Point: 562.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 293.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 7.46
ACD/KOC (pH 5.5): 15.44
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.90
Polar Surface Area: 126 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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