ChemSpider 2D Image | O-{[(2R)-2-{[(9S,10S)-9,10-Dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine | C40H76Br2NO10P

O-{[(2R)-2-{[(9S,10S)-9,10-Dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine

  • Molecular FormulaC40H76Br2NO10P
  • Average mass921.814 Da
  • Monoisotopic mass919.357361 Da
  • ChemSpider ID13168800

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

O-[{[(2r)-2-{[(9s,10s)-9,10-Dibromooctadecanoyl]oxy}-3-(Palmitoyloxy)propyl]oxy}(Hydroxy)phosphoryl]-L-Serine
O-{[(2R)-2-{[(9S,10S)-9,10-Dibromoctadecanoyl]oxy}-3-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-2-{[(9S,10S)-9,10-Dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-2-{[(9S,10S)-9,10-Dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
Octadecanoic acid, 9,10-dibromo-, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9S,10S)- [ACD/Index Name]
PS2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 858.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 472.9±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 223.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.96
ACD/LogD (pH 5.5): 9.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 110048.84
ACD/LogD (pH 7.4): 9.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 86239.10
Polar Surface Area: 181 Å2
Polarizability: 88.5±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 756.3±3.0 cm3

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