ChemSpider 2D Image | O-{Hydroxy[(2R)-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-serine | C42H76NO10P

O-{Hydroxy[(2R)-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-serine

  • Molecular FormulaC42H76NO10P
  • Average mass786.027 Da
  • Monoisotopic mass785.520691 Da
  • ChemSpider ID59696598

  • 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-Eicosatrienoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (8E,11E,14E)- [ACD/Index Name]
O-{Hydroxy[(2R)-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{Hydroxy[(2R)-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-serine [ACD/IUPAC Name]
O-{Hydroxy[(2R)-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-2-(hexadecanoyloxy)-3-(icosa-8,11,14-trienoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid
PS(20:3(8Z,11Z,14Z)/16:0)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 815.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 447.2±37.1 °C
Index of Refraction: 1.497
Molar Refractivity: 217.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.41
ACD/LogD (pH 5.5): 8.07
ACD/BCF (pH 5.5): 116423.46
ACD/KOC (pH 5.5): 14889.00
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 91234.55
ACD/KOC (pH 7.4): 11667.67
Polar Surface Area: 181 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 743.1±3.0 cm3

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