ChemSpider 2D Image | SM(d18:0/22:0) | C45H93N2O6P

SM(d18:0/22:0)

  • Molecular FormulaC45H93N2O6P
  • Average mass789.203 Da
  • Monoisotopic mass788.677124 Da
  • ChemSpider ID24846880

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(Docosanoylamino)-3-hydroxyoctadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R)-2-(Docosanoylamino)-3-hydroxyoctadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R)-3-hydroxy-2-[(1-oxodocosyl)amino]octadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S,3R)-2-(docosanoylamino)-3-hydroxyoctadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
SM(d18:0/22:0)
(2-{[(2S,3R)-2-docosanamido-3-hydroxyoctadecyl phosphonato]oxy}ethyl)trimethylazanium
C22DH sphingomyelin
N-(docosanoyl)-sphinganine-1-phosphocholine
Sphingomyelin
Sphingomyelin (d18:0/22:0)

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: 43
#Rule of 5 Violations: 2
ACD/LogP: 12.84
ACD/LogD (pH 5.5): 11.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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