ChemSpider 2D Image | O-{[(2R)-3-[(13Z)-13-Docosenoyloxy]-2-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine | C44H84NO10P

O-{[(2R)-3-[(13Z)-13-Docosenoyloxy]-2-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine

  • Molecular FormulaC44H84NO10P
  • Average mass818.112 Da
  • Monoisotopic mass817.583313 Da
  • ChemSpider ID74876182

  • 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

13-Docosenoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (13Z)- [ACD/Index Name]
O-{[(2R)-3-[(13Z)-13-Docosenoyloxy]-2-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-3-[(13Z)-13-Docosenoyloxy]-2-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-3-[(13Z)-13-Docosenoyloxy]-2-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid
PS(22:1(13Z)/16:0)

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: 832.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.4±6.0 kJ/mol
Flash Point: 457.3±37.1 °C
Index of Refraction: 1.486
Molar Refractivity: 226.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: 16.67
ACD/LogD (pH 5.5): 10.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 192023.03
ACD/LogD (pH 7.4): 10.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 150477.86
Polar Surface Area: 181 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 788.8±3.0 cm3

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