ChemSpider 2D Image | O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(1Z)-1-octadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C46H82NO9P

O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(1Z)-1-octadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC46H82NO9P
  • Average mass824.118 Da
  • Monoisotopic mass823.572693 Da
  • ChemSpider ID113376712

  • 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-Docosatetraenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1Z)-1-octadecen-1-yloxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(1Z)-1-octadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(1Z)-1-octadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(1Z)-1-octadécén-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-(1Z-octadecenyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphoserine
PS(P-18:0/22:4(7Z,10Z,13Z,16Z))
PS(P-18:0/22:4)
PS(P-40:4)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 839.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 461.4±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: 16.43
ACD/LogD (pH 5.5): 9.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 79706.73
ACD/LogD (pH 7.4): 9.31
ACD/BCF (pH 7.4): 953158.38
ACD/KOC (pH 7.4): 62616.81
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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