ChemSpider 2D Image | 1-[(1Z)-octadec-1-enyl]-sn-glycero-3-phosphoethanolamine | C23H48NO6P

1-[(1Z)-octadec-1-enyl]-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC23H48NO6P
  • Average mass465.604 Da
  • Monoisotopic mass465.321930 Da
  • ChemSpider ID24823082

  • 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

1-[(1Z)-octadec-1-enyl]-sn-glycero-3-phosphoethanolamine
2-Aminoethyl (2R)-2-hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propyl hydrogen phosphate [ACD/IUPAC Name]
2-Aminoethyl-(2R)-2-hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-aminoéthyle et de (2R)-2-hydroxy-3-[(1Z)-1-octadécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl (2R)-2-hydroxy-3-[(1Z)-1-octadecen-1-yloxy]propyl ester [ACD/Index Name]
1-(1Z-octadecenyl)-sn-glycero-3-phosphoethanolamine
1-[(1Z)-octadecenyl]-sn-glycero-3-phosphoethanolamine
1-[(Z)-octadec-1-enyl]-sn-glycero-3-phosphoethanolamine
174062-73-8 [RN]
2-aminoethyl (2R)-2-hydroxy-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl hydrogen phosphate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 581.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 305.7±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 74.71
ACD/KOC (pH 5.5): 148.49
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 60.68
ACD/KOC (pH 7.4): 120.60
Polar Surface Area: 121 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 444.1±3.0 cm3

Click to predict properties on the Chemicalize site


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