ChemSpider 2D Image | 2-Aminoethyl (2S,3R,4E)-3-hydroxy-2-(nonadecanoylamino)-4-hexadecen-1-yl hydrogen phosphate | C37H75N2O6P

2-Aminoethyl (2S,3R,4E)-3-hydroxy-2-(nonadecanoylamino)-4-hexadecen-1-yl hydrogen phosphate

  • Molecular FormulaC37H75N2O6P
  • Average mass674.975 Da
  • Monoisotopic mass674.536255 Da
  • ChemSpider ID113381572
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Aminoethyl (2S,3R,4E)-3-hydroxy-2-(nonadecanoylamino)-4-hexadecen-1-yl hydrogen phosphate [ACD/IUPAC Name]
2-Aminoethyl-(2S,3R,4E)-3-hydroxy-2-(nonadecanoylamino)-4-hexadecen-1-ylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-aminoéthyle et de (2S,3R,4E)-3-hydroxy-2-(nonadecanoylamino)-4-hexadécén-1-yle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl (2S,3R,4E)-3-hydroxy-2-[(1-oxononadecyl)amino]-4-hexadecen-1-yl ester [ACD/Index Name]
CerPE(d16:1(4E)/19:0)
N-(nonadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine
PE-Cer(d16:1/19:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.487
Molar Refractivity: 194.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 12.89
ACD/LogD (pH 5.5): 8.91
ACD/BCF (pH 5.5): 870361.44
ACD/KOC (pH 5.5): 120867.42
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 705739.25
ACD/KOC (pH 7.4): 98006.27
Polar Surface Area: 141 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 675.2±3.0 cm3

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