ChemSpider 2D Image | O-(Hydroxy{(2R)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-serine | C42H74NO10P

O-(Hydroxy{(2R)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC42H74NO10P
  • Average mass784.011 Da
  • Monoisotopic mass783.505005 Da
  • ChemSpider ID74875892
  • 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

6,9,12-Octadecatrienoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy)phosphoryl]oxy}propanoic acid
PS(18:3(6Z,9Z,12Z)/18:1(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: 13.96
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 6490.66
ACD/KOC (pH 5.5): 1885.57
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 5086.35
ACD/KOC (pH 7.4): 1477.61
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

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