ChemSpider 2D Image | (2R)-2-Hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propyl dihydrogen phosphate | C21H43O6P

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

  • Molecular FormulaC21H43O6P
  • Average mass422.536 Da
  • Monoisotopic mass422.279724 Da
  • ChemSpider ID64808354
  • 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 dihydrogen phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,2-Propanediol, 3-[(1Z)-1-octadecen-1-yloxy]-, 1-(dihydrogen phosphate), (2R)- [ACD/Index Name]
Dihydrogénophosphate 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 dihydrogen phosphate
1-(1Z-octadecenyl)-glycero-3-phosphate
1-(1Z-octadecenyl)-Lyso-PA
1-(1Z-octadecenyl)-sn-glycero-3-phosphate
PA(P-18:0)
PA(P-18:0/0:0)
More...

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

Density: 1.1±0.1 g/cm3
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: 1.485
Molar Refractivity: 114.3±0.3 cm3
#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: 106 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 398.6±3.0 cm3

Click to predict properties on the Chemicalize site






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