ChemSpider 2D Image | O-(Hydroxy{(2R)-3-[(11Z)-11-icosenoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}phosphoryl)-L-serine | C40H74NO10P

O-(Hydroxy{(2R)-3-[(11Z)-11-icosenoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC40H74NO10P
  • Average mass759.990 Da
  • Monoisotopic mass759.505005 Da
  • ChemSpider ID74875984

  • 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

11-Eicosenoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-3-[(11Z)-11-icosenoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-[(11Z)-11-icosenoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-[(11Z)-11-icosenoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy)phosphoryl]oxy}propanoic acid
1-(11Z-eicosenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphoserine
PS(14:1_20:1)
PS(20:1(11Z)/14:1(9Z))
PS(34:2)

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: 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): 6.68
ACD/BCF (pH 5.5): 10124.79
ACD/KOC (pH 5.5): 2592.15
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 7934.23
ACD/KOC (pH 7.4): 2031.32
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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