ChemSpider 2D Image | O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-(icosyloxy)propoxy]phosphoryl}-L-serine | C46H82NO9P

O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-(icosyloxy)propoxy]phosphoryl}-L-serine

  • Molecular FormulaC46H82NO9P
  • Average mass824.118 Da
  • Monoisotopic mass823.572693 Da
  • ChemSpider ID113376629

  • 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

5,8,11,14,17-Eicosapentaenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-(icosyloxy)propoxy]phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-(icosyloxy)propoxy]phosphoryl}-L-serine [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-(icosyloxy)propoxy]phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
1-eicosyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphoserine
PS(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PS(O-20:0/20:5)
PS(O-40:5)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 837.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 132.1±6.0 kJ/mol
Flash Point: 460.1±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 235.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.80
ACD/LogD (pH 5.5): 9.16
ACD/BCF (pH 5.5): 784662.50
ACD/KOC (pH 5.5): 58345.38
ACD/LogD (pH 7.4): 9.06
ACD/BCF (pH 7.4): 616668.06
ACD/KOC (pH 7.4): 45853.77
Polar Surface Area: 164 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 799.2±3.0 cm3

Click to predict properties on the Chemicalize site


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