ChemSpider 2D Image | O-(Hydroxy{(2R)-2-(icosanoyloxy)-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)-L-serine | C44H84NO10P

O-(Hydroxy{(2R)-2-(icosanoyloxy)-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC44H84NO10P
  • Average mass818.112 Da
  • Monoisotopic mass817.583313 Da
  • ChemSpider ID74875854

  • 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

Eicosanoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
O-(Hydroxy{(2R)-2-(icosanoyloxy)-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-(icosanoyloxy)-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-(icosanoyloxy)-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-2-(icosanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-2-(icosanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy)phosphoryl]oxy}propanoic acid
1-(9Z-octadecenoyl)-2-eicosanoyl-glycero-3-phosphoserine
PS(18:1(9Z)/20:0)
PS(18:1_20:0)
PS(38:1)

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: 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): 10.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 226608.20
ACD/LogD (pH 7.4): 10.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 177580.34
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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