ChemSpider 2D Image | O-{Hydroxy[(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-serine | C42H74NO10P

O-{Hydroxy[(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-serine

  • Molecular FormulaC42H74NO10P
  • Average mass784.011 Da
  • Monoisotopic mass783.505005 Da
  • ChemSpider ID74876100
  • 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

8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
O-{Hydroxy[(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{Hydroxy[(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-serine [ACD/IUPAC Name]
O-{Hydroxy[(2R)-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-(palmitoyloxy)propoxy]phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-2-(hexadecanoyloxy)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2-(hexadecanoyloxy)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
PS(20:4(8Z,11Z,14Z,17Z)/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: 1.1±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: 13.73
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 41267.82
ACD/KOC (pH 5.5): 7086.85
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 32339.28
ACD/KOC (pH 7.4): 5553.57
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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