ChemSpider 2D Image | O-(Hydroxy{(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-serine | C46H82NO10P

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

  • Molecular FormulaC46H82NO10P
  • Average mass840.118 Da
  • Monoisotopic mass839.567627 Da
  • ChemSpider ID74875998

  • 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-[[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy)phosphoryl]oxy}propanoic acid
1-(11Z-eicosenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoserine
PS(20:1(11Z)/20:3(8Z,11Z,14Z))
PS(20:1_20:3)
PS(40:4)

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: 1.0±0.1 g/cm3
Boiling Point: 848.2±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: 466.8±37.1 °C
Index of Refraction: 1.499
Molar Refractivity: 235.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 16.02
ACD/LogD (pH 5.5): 8.51
ACD/BCF (pH 5.5): 250603.59
ACD/KOC (pH 5.5): 25774.21
ACD/LogD (pH 7.4): 8.41
ACD/BCF (pH 7.4): 196383.78
ACD/KOC (pH 7.4): 20197.78
Polar Surface Area: 181 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 802.7±3.0 cm3

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