ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C42H71O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC42H71O10P
  • Average mass766.981 Da
  • Monoisotopic mass766.478455 Da
  • ChemSpider ID24768181

  • 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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy(2S)-2,3-dihydroxypropoxyphosphinic acid
[(2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy][(2S)-2,3-dihydroxypropoxy]phosphinic acid
1,2-Di(9Z,12Z,15Z-octadeatrienoyl)-rac-glycero-3-phospho-(1'-glycerol)
1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
1,2-Dia-linolenoyl-rac-glycero-3-phosphoglycerol
GPG(18:3/18:3)
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: 794.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±6.0 kJ/mol
Flash Point: 434.5±35.7 °C
Index of Refraction: 1.510
Molar Refractivity: 215.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 11.72
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 1043.53
ACD/KOC (pH 5.5): 535.15
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 882.55
ACD/KOC (pH 7.4): 452.60
Polar Surface Area: 159 Å2
Polarizability: 85.4±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 720.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement