ChemSpider 2D Image | 1-OCTADECYL-2-ACETAMIDO-2-DEOXY-SN-GLYCEROL-3-PHOSPHOETHYLMETHYL SULFIDE | C26H54NO6PS

1-OCTADECYL-2-ACETAMIDO-2-DEOXY-SN-GLYCEROL-3-PHOSPHOETHYLMETHYL SULFIDE

  • Molecular FormulaC26H54NO6PS
  • Average mass539.749 Da
  • Monoisotopic mass539.340942 Da
  • ChemSpider ID26330204

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen (R)-phosphate [ACD/IUPAC Name]
(2S)-2-Acetamido-3-(octadecyloxy)propyl-2-(methylsulfanyl)ethylhydrogen(R)-phosphat [German] [ACD/IUPAC Name]
1-OCTADECYL-2-ACETAMIDO-2-DEOXY-SN-GLYCEROL-3-PHOSPHOETHYLMETHYL SULFIDE
Hydrogéno(R)-phosphate de (2S)-2-acétamido-3-(octadécyloxy)propyle et de 2-(méthylsulfanyl)éthyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2S)-2-(acetylamino)-3-(octadecyloxy)propyl 2-(methylthio)ethyl ester, (R)- [ACD/Index Name]
(2S)-2-acetamido-3-(octadecyloxy)propoxy(2-(methylsulfanyl)ethoxy)phosphinic acid
[(2S)-2-acetamido-3-(octadecyloxy)propoxy][2-(methylsulfanyl)ethoxy]phosphinic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.481
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 173.78
ACD/KOC (pH 5.5): 149.57
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 142.80
ACD/KOC (pH 7.4): 122.90
Polar Surface Area: 129 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 518.7±3.0 cm3

Click to predict properties on the Chemicalize site


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