ChemSpider 2D Image | (2R)-2-Hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propyl phosphate | C21H41O6P

(2R)-2-Hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propyl phosphate

  • Molecular FormulaC21H41O6P
  • Average mass420.522 Da
  • Monoisotopic mass420.265167 Da
  • ChemSpider ID76962962

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propyl phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propylphosphat [German] [ACD/IUPAC Name]
1,2-Propanediol, 3-[(1Z)-1-octadecen-1-yloxy]-, 1-(dihydrogen phosphate), ion(2-), (2R)- [ACD/Index Name]
Phosphate de (2R)-2-hydroxy-3-[(1Z)-1-octadécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
(2R)-2-hydroxy-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl phosphate
1-(1Z-octadecenyl)-LPA(2-)
1-O-(1Z-octadecenyl)-sn-glycero-3-phosphate
  • Miscellaneous

    • Chemical Class:

      A 1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of any 1-(1Z-octadecenyl)-sn-glyce; ro-3-phosphate; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137017
      A 1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of any 1-(1Z-octadecenyl)-sn-glycero-3-phosphate; major species at pH 7.3. ChEBI CHEBI:137017

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

Density:
Boiling Point: 563.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 294.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 9.03
ACD/KOC (pH 5.5): 18.91
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 2.18
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

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