ChemSpider 2D Image | O-[{(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C42H74NO10P

O-[{(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC42H74NO10P
  • Average mass784.011 Da
  • Monoisotopic mass783.505005 Da
  • ChemSpider ID74875805
  • 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

5,8,11-Eicosatrienoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
O-[{(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
PS(16:1(9Z)/20:3(5Z,8Z,11Z))

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: 815.6±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: 447.1±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 217.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 14.02
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 19153.22
ACD/KOC (pH 5.5): 4091.01
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 15008.51
ACD/KOC (pH 7.4): 3205.72
Polar Surface Area: 181 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 736.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement