ChemSpider 2D Image | O-[{(2R)-3-[(9Z)-9-Heptadecenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C43H76NO10P

O-[{(2R)-3-[(9Z)-9-Heptadecenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC43H76NO10P
  • Average mass798.038 Da
  • Monoisotopic mass797.520691 Da
  • ChemSpider ID113376226

  • 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

8,11,14-Eicosatrienoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-heptadecen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
O-[{(2R)-3-[(9Z)-9-Heptadecenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-3-[(9Z)-9-Heptadecenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-3-[(9Z)-9-Heptadecenoyloxy]-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-(9Z-heptadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoserine
PS(17:1(9Z)/20:3(8Z,11Z,14Z))
PS(17:1_20:3)
PS(37:4)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 823.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.1±6.0 kJ/mol
Flash Point: 452.0±37.1 °C
Index of Refraction: 1.501
Molar Refractivity: 222.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.43
ACD/LogD (pH 5.5): 7.40
ACD/BCF (pH 5.5): 35583.38
ACD/KOC (pH 5.5): 6373.56
ACD/LogD (pH 7.4): 7.29
ACD/BCF (pH 7.4): 27884.66
ACD/KOC (pH 7.4): 4994.59
Polar Surface Area: 181 Å2
Polarizability: 88.0±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 753.2±3.0 cm3

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