ChemSpider 2D Image | O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-serine | C46H88NO10P

O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC46H88NO10P
  • Average mass846.165 Da
  • Monoisotopic mass845.614563 Da
  • ChemSpider ID74875967

  • 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

11-Eicosenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxoeicosyl)oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(11Z)-11-icosenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-(icosanoyloxy)propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-2-[(11Z)-icos-11-enoyloxy]-3-(icosanoyloxy)propoxy)phosphoryl]oxy}propanoic acid
1-eicosanoyl-2-(11Z-eicosenoyl)-glycero-3-phosphoserine
PS(20:0/20:1(11Z))
PS(20:0_20:1)
PS(40:1)

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: 848.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.9±6.0 kJ/mol
Flash Point: 467.1±37.1 °C
Index of Refraction: 1.485
Molar Refractivity: 235.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 3
ACD/LogP: 17.74
ACD/LogD (pH 5.5): 10.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 552020.63
ACD/LogD (pH 7.4): 10.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 432588.06
Polar Surface Area: 181 Å2
Polarizability: 93.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 821.9±3.0 cm3

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