ChemSpider 2D Image | 3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL | C47H98O11P2

3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL

  • Molecular FormulaC47H98O11P2
  • Average mass901.222 Da
  • Monoisotopic mass900.658447 Da
  • ChemSpider ID395869
  • defined stereocentres - 6 of 8 defined stereocentres


More details:






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

(2S)-2-Hydroxy-1,3-propandiyl-methyl-(2R)-3-{[(3S)-3,7,11,15-tetramethylhexadecyl]oxy}-2-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propylbis[hydrogen(R,S)-phosphat] [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-1,3-propanediyl methyl (2R)-3-{[(3S)-3,7,11,15-tetramethylhexadecyl]oxy}-2-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propyl bis[hydrogen (R,S)-phosphate] [ACD/IUPAC Name]
3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL
Bis[hydrogéno(R,S)-phosphate] de (2S)-2-hydroxy-1,3-propanediyle et de méthyle et de (2R)-3-{[(3S)-3,7,11,15-tétraméthylhexadécyl]oxy}-2-{[(3S,7R,11S)-3,7,11,15-tétraméthylhexadécyl]oxy}propyle [French] [ACD/IUPAC Name]
2DP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 835.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.2±6.0 kJ/mol
Flash Point: 459.3±37.1 °C
Index of Refraction: 1.472
Molar Refractivity: 248.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 16.56
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 381246.06
ACD/KOC (pH 5.5): 18105.11
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 380791.31
ACD/KOC (pH 7.4): 18083.51
Polar Surface Area: 170 Å2
Polarizability: 98.4±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 887.1±3.0 cm3

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