ChemSpider 2D Image | N-[(15Z)-tetracosenoyl]sphinganine-1-phosphocholine | C47H95N2O6P

N-[(15Z)-tetracosenoyl]sphinganine-1-phosphocholine

  • Molecular FormulaC47H95N2O6P
  • Average mass815.241 Da
  • Monoisotopic mass814.692749 Da
  • ChemSpider ID24846881

  • 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

(2S,3R)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]octadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-[(15Z)-15-tetracosenoylamino]octadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R)-3-hydroxy-2-[[(15Z)-1-oxo-15-tetracosen-1-yl]amino]octadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-[(15Z)-tetracosenoyl]sphinganine-1-phosphocholine
Phosphate de (2S,3R)-3-hydroxy-2-[(15Z)-15-tetracosenoylamino]octadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2S,3R)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadecyl phosphonato]oxy}ethyl)trimethylazanium
(2S,3R)-3-hydroxy-2-{[(15Z)-tetracos-15-enoyl]amino}octadecyl 2-(trimethylazaniumyl)ethyl phosphate
C24:1DH sphingomyelin
N-(15Z-tetracosenoyl)-sphinganine-1-phosphocholine
N-[(15Z)-tetracosenoyl]dihydrosphingomyelin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 13.39
ACD/LogD (pH 5.5): 11.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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