ChemSpider 2D Image | O-[{(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C42H78NO10P

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

  • Molecular FormulaC42H78NO10P
  • Average mass788.043 Da
  • Monoisotopic mass787.536316 Da
  • ChemSpider ID74875987

  • 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-hexadecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
O-[{(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-icos-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-icos-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-(11Z-eicosenoyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphoserine
PS(16:1_20:1)
PS(20:1(11Z)/16:1(9Z))
PS(36:2)

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: 815.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 447.2±37.1 °C
Index of Refraction: 1.491
Molar Refractivity: 217.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 15.09
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 91381.41
ACD/KOC (pH 5.5): 12519.20
ACD/LogD (pH 7.4): 7.83
ACD/BCF (pH 7.4): 71610.49
ACD/KOC (pH 7.4): 9810.60
Polar Surface Area: 181 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 749.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement