ChemSpider 2D Image | sphinganine-1-phosphocholine | C23H51N2O5P

sphinganine-1-phosphocholine

  • Molecular FormulaC23H51N2O5P
  • Average mass466.635 Da
  • Monoisotopic mass466.353546 Da
  • ChemSpider ID21403135

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Amino-3-hydroxyoctadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R)-2-Amino-3-hydroxyoctadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[[(2S,3R)-2-amino-3-hydroxyoctadecyl]oxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Lysodihydrosphingomyelin (d18:0)
Phosphate de (2S,3R)-2-amino-3-hydroxyoctadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
sphinganine-1-phosphocholine
(2-{[(2S,3R)-2-amino-3-hydroxyoctadecyl phosphonato]oxy}ethyl)trimethylazanium
(2S,3R)-2-amino-3-hydroxyoctadecyl (2-(trimethylammonio)ethyl) phosphate
(2S,3R)-2-amino-3-hydroxyoctadecyl 2-(trimethylazaniumyl)ethyl phosphate
21658-11-7 [RN]
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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: 7
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 31.33
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 42.97
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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