ChemSpider 2D Image | O-[{2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(nonadecanoyloxy)propoxy}(hydroxy)phosphoryl]serine | C47H80NO10P

O-[{2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(nonadecanoyloxy)propoxy}(hydroxy)phosphoryl]serine

  • Molecular FormulaC47H80NO10P
  • Average mass850.113 Da
  • Monoisotopic mass849.552002 Da
  • ChemSpider ID29273231

  • Double-bond stereo - Double-bond stereo

More details:

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

4,7,10,13,16,19-Docosahexaenoic acid, 2-[[(2-amino-2-carboxyethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxononadecyl)oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
O-[{2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(nonadecanoyloxy)propoxy}(hydroxy)phosphoryl]serin [German] [ACD/IUPAC Name]
O-[{2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(nonadecanoyloxy)propoxy}(hydroxy)phosphoryl]serine [ACD/IUPAC Name]
O-[{2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(nonadecanoyloxy)propoxy}(hydroxy)phosphoryl]sérine [French] [ACD/IUPAC Name]
Phosphatidylserine 19:0-22:6

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

Density: 1.1±0.1 g/cm3
Boiling Point: 855.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.0±6.0 kJ/mol
Flash Point: 471.4±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 240.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.22
ACD/LogD (pH 5.5): 8.95
ACD/BCF (pH 5.5): 535208.81
ACD/KOC (pH 5.5): 44367.32
ACD/LogD (pH 7.4): 8.84
ACD/BCF (pH 7.4): 419352.81
ACD/KOC (pH 7.4): 34763.19
Polar Surface Area: 181 Å2
Polarizability: 95.4±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 806.4±3.0 cm3

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