ChemSpider 2D Image | PS(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) | C46H78NO10P

PS(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))

  • Molecular FormulaC46H78NO10P
  • Average mass836.086 Da
  • Monoisotopic mass835.536316 Da
  • ChemSpider ID35032513

  • 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, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
O-[{(2R)-2,3-Bis[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2,3-Bis[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2,3-Bis[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
PS(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
(2S)-2-amino-3-({[(2R)-2,3-bis[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2,3-bis[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoserine
1,2-Dihomo-g-linolenoyl-rac-glycero-3-phosphoserine
1,2-Dihomo-γ-linolenoyl-rac-glycero-3-phosphoserine
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: 847.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.8±6.0 kJ/mol
Flash Point: 466.6±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 236.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.82
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 31609.27
ACD/KOC (pH 5.5): 5855.54
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 24770.36
ACD/KOC (pH 7.4): 4588.65
Polar Surface Area: 181 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 789.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement