ChemSpider 2D Image | O-{[(2R)-3-[(11Z)-11-Docosenoyloxy]-2-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine | C46H88NO10P

O-{[(2R)-3-[(11Z)-11-Docosenoyloxy]-2-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine

  • Molecular FormulaC46H88NO10P
  • Average mass846.165 Da
  • Monoisotopic mass845.614563 Da
  • ChemSpider ID113376477

  • 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-Docosenoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
O-{[(2R)-3-[(11Z)-11-Docosenoyloxy]-2-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-3-[(11Z)-11-Docosenoyloxy]-2-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-3-[(11Z)-11-Docosenoyloxy]-2-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
1-(11Z-docosenoyl)-2-octadecanoyl-glycero-3-phosphoserine
PS(18:0_22:1)
PS(22:1(11Z)/18:0)
PS(40:1)

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): 11.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1016745.25
ACD/LogD (pH 7.4): 11.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 796767.19
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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