ChemSpider 2D Image | PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) | C46H80NO10P

PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))

  • Molecular FormulaC46H80NO10P
  • Average mass838.102 Da
  • Monoisotopic mass837.552002 Da
  • ChemSpider ID24768057

  • 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

7,10,13,16,19-Docosapentaenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
O-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
(2S)-2-amino-3-({[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-Stearoyl-2-docosapentaenoyl-sn-glycero-3-phosphoserine
Phosphatidylserine(18:0/22:5)
Phosphatidylserine(18:0/22:5n3)
More...

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: 848.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.8±6.0 kJ/mol
Flash Point: 466.6±37.1 °C
Index of Refraction: 1.504
Molar Refractivity: 235.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.18
ACD/LogD (pH 5.5): 8.51
ACD/BCF (pH 5.5): 250997.38
ACD/KOC (pH 5.5): 25803.17
ACD/LogD (pH 7.4): 8.41
ACD/BCF (pH 7.4): 196691.92
ACD/KOC (pH 7.4): 20220.43
Polar Surface Area: 181 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 796.3±3.0 cm3

Click to predict properties on the Chemicalize site


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