ChemSpider 2D Image | O-[{(2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C40H74NO10P

O-[{(2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC40H74NO10P
  • Average mass759.990 Da
  • Monoisotopic mass759.505005 Da
  • ChemSpider ID59696556

  • 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

9-Octadecenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9E)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (9E)- [ACD/Index Name]
O-[{(2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-3-[(9E)-9-Hexadecenoyloxy]-2-[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-3-(hexadec-9-enoyloxy)-2-(octadec-9-enoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid
PS(16:1(9Z)/18:1(9Z))

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

Density: 1.1±0.1 g/cm3
Boiling Point: 799.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 437.2±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 207.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 14.03
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 25996.28
ACD/KOC (pH 5.5): 5090.89
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 20371.83
ACD/KOC (pH 7.4): 3989.45
Polar Surface Area: 181 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 716.4±3.0 cm3

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