ChemSpider 2D Image | PS(18:0/20:4(8Z,11Z,14Z,17Z)) | C44H78NO10P

PS(18:0/20:4(8Z,11Z,14Z,17Z))

  • Molecular FormulaC44H78NO10P
  • Average mass812.065 Da
  • Monoisotopic mass811.536316 Da
  • ChemSpider ID24768056

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

8,11,14,17-Eicosatetraenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-serine [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
PS(18:0/20:4(8Z,11Z,14Z,17Z))
(2S)-2-amino-3-({hydroxy[(2R)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy(2R)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(octadecanoyloxy)propoxyphosphoryl]oxy}propanoic acid
1-Stearoyl-2-eicsoate
1-Stearoyl-2-eicsoatetraenoyl-sn-glycero-3-phosphoserine
1-Stearoyl-2-eicsoic acid
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: 1.1±0.1 g/cm3
Boiling Point: 832.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.3±6.0 kJ/mol
Flash Point: 457.0±37.1 °C
Index of Refraction: 1.501
Molar Refractivity: 226.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.80
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 234523.48
ACD/KOC (pH 5.5): 24579.31
ACD/LogD (pH 7.4): 8.37
ACD/BCF (pH 7.4): 183782.70
ACD/KOC (pH 7.4): 19261.41
Polar Surface Area: 181 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 769.7±3.0 cm3

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