ChemSpider 2D Image | N-(2-hydroxyhexadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine | C38H79N2O8P

N-(2-hydroxyhexadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

  • Molecular FormulaC38H79N2O8P
  • Average mass723.016 Da
  • Monoisotopic mass722.557373 Da
  • ChemSpider ID28533349

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,3S,4R)-3,4-Dihydroxy-2-[(2-hydroxyhexadecanoyl)amino]-15-methylhexadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3S,4R)-3,4-Dihydroxy-2-[(2-hydroxyhexadecanoyl)amino]-15-methylhexadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[[(2S,3S,4R)-3,4-dihydroxy-2-[(2-hydroxy-1-oxohexadecyl)amino]-15-methylhexadecyl]oxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-(2-hydroxyhexadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Phosphate de (2S,3S,4R)-3,4-dihydroxy-2-[(2-hydroxyhexadecanoyl)amino]-15-méthylhexadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
4-hydroxy-N-(2-hydroxyhexadecanoyl)-15-methylhexadecasphinganine-1-phosphocholine

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: 10
#H bond donors: 5
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 4
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 8652.57
ACD/KOC (pH 5.5): 33909.41
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 8652.83
ACD/KOC (pH 7.4): 33910.45
Polar Surface Area: 158 Å2
Polarizability:
Surface Tension:
Molar Volume:

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