ChemSpider 2D Image | SM(d18:0/14:0) | C37H77N2O6P

SM(d18:0/14:0)

  • Molecular FormulaC37H77N2O6P
  • Average mass676.991 Da
  • Monoisotopic mass676.551941 Da
  • ChemSpider ID24846886

  • 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-(tetradecanoylamino)octadecyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-(tetradecanoylamino)octadecyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R)-3-hydroxy-2-[(1-oxotetradecyl)amino]octadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadécyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
SM(d18:0/14:0)
(2-{[(2S,3R)-3-hydroxy-2-tetradecanamidooctadecyl phosphonato]oxy}ethyl)trimethylazanium
C14 Sphingomyelin
C14DH sphingomyelin
N-(Tetradecanoyl)-sphing-4-enine-1-phosphocholine
N-(tetradecanoyl)-sphinganine-1-phosphocholine
More...

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: 35
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 581953.50
ACD/KOC (pH 5.5): 689603.88
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 581973.94
ACD/KOC (pH 7.4): 689628.06
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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