ChemSpider 2D Image | N-[(15Z)-tetracosenoyl]-tetradecasphing-4-enine-1-phosphoethanolamine | C40H79N2O6P

N-[(15Z)-tetracosenoyl]-tetradecasphing-4-enine-1-phosphoethanolamine

  • Molecular FormulaC40H79N2O6P
  • Average mass715.039 Da
  • Monoisotopic mass714.567566 Da
  • ChemSpider ID58163831

  • 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-[(15Z)-15-tetracosenoylamino]-4-tetradecen-1-yl hydrogen phosphate [ACD/IUPAC Name]
2-Aminoethyl-(2S,3R,4E)-3-hydroxy-2-[(15Z)-15-tetracosenoylamino]-4-tetradecen-1-ylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-aminoéthyle et de (2S,3R,4E)-3-hydroxy-2-[(15Z)-15-tetracosenoylamino]-4-tétradécén-1-yle [French] [ACD/IUPAC Name]
N-[(15Z)-tetracosenoyl]-tetradecasphing-4-enine-1-phosphoethanolamine
Phosphoric acid, 2-aminoethyl (2S,3R,4E)-3-hydroxy-2-[[(15Z)-1-oxo-15-tetracosen-1-yl]amino]-4-tetradecen-1-yl ester [ACD/Index Name]
2-aminoethyl (2S,3R,4E)-3-hydroxy-2-{[(15Z)-tetracos-15-enoyl]amino}tetradec-4-en-1-yl hydrogen phosphate
CerPE(d14:1(4E)/24:1(15Z))
N-(15Z-tetracosenoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
PE-Cer(d14:1(4E)/24:1(15Z))
PE-Cer(d14:1/24:1(15Z))

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: 1.491
Molar Refractivity: 208.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 13.96
ACD/LogD (pH 5.5): 9.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 198104.16
ACD/LogD (pH 7.4): 9.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 160634.97
Polar Surface Area: 141 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 718.3±3.0 cm3

Click to predict properties on the Chemicalize site


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