ChemSpider 2D Image | PG(18:0/18:2(9Z,12Z)) | C42H79O10P

PG(18:0/18:2(9Z,12Z))

  • Molecular FormulaC42H79O10P
  • Average mass775.044 Da
  • Monoisotopic mass774.541077 Da
  • ChemSpider ID24768104

  • 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

(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
PG(18:0/18:2(9Z,12Z))
(2S)-2,3-dihydroxypropoxy(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propoxyphosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid
1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phospho-(1'-sn-glycerol)
1-Octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-glycerol)
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoglycerol
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: 1.0±0.1 g/cm3
Boiling Point: 795.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 435.1±35.7 °C
Index of Refraction: 1.489
Molar Refractivity: 215.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.12
ACD/LogD (pH 5.5): 8.81
ACD/BCF (pH 5.5): 442976.72
ACD/KOC (pH 5.5): 40689.49
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 374642.03
ACD/KOC (pH 7.4): 34412.63
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 746.2±3.0 cm3

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