ChemSpider 2D Image | O-{Hydroxy[(2R)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-serine | C42H74NO10P

O-{Hydroxy[(2R)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-serine

  • Molecular FormulaC42H74NO10P
  • Average mass784.011 Da
  • Monoisotopic mass783.505005 Da
  • ChemSpider ID74875818
  • 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

6,9,12,15-Octadecatetraenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
O-{Hydroxy[(2R)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-serine [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(octadecanoyloxy)propoxy)phosphoryl]oxy}propanoic acid
1-octadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phosphoserine
PS(18:0/18:4(6Z,9Z,12Z,15Z))
PS(18:0_18:4)
PS(36:4)

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: 1.1±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: 13.80
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 40855.94
ACD/KOC (pH 5.5): 7036.14
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 32015.84
ACD/KOC (pH 7.4): 5513.72
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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