ChemSpider 2D Image | PS(18:0/18:3(9Z,12Z,15Z)) | C42H76NO10P

PS(18:0/18:3(9Z,12Z,15Z))

  • Molecular FormulaC42H76NO10P
  • Average mass786.027 Da
  • Monoisotopic mass785.520691 Da
  • ChemSpider ID35032478

  • 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

9,12,15-Octadecatrienoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
O-{Hydroxy[(2R)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-serine [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
PS(18:0/18:3(9Z,12Z,15Z))
(2S)-2-amino-3-({hydroxy[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(octadecanoyloxy)propoxyphosphoryl]oxy}propanoic acid
1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphoserine
1-Stearoyl-2-a-linolenoyl-sn-glycero-3-phosphoserine
1-Stearoyl-2-α-linolenoyl-sn-glycero-3-phosphoserine
More...

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: 815.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 447.2±37.1 °C
Index of Refraction: 1.497
Molar Refractivity: 217.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.41
ACD/LogD (pH 5.5): 8.22
ACD/BCF (pH 5.5): 151023.41
ACD/KOC (pH 5.5): 17937.08
ACD/LogD (pH 7.4): 8.12
ACD/BCF (pH 7.4): 118348.58
ACD/KOC (pH 7.4): 14056.28
Polar Surface Area: 181 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 743.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement