ChemSpider 2D Image | PG(18:1(9Z)/18:2(9Z,12Z)) | C42H77O10P

PG(18:1(9Z)/18:2(9Z,12Z))

  • Molecular FormulaC42H77O10P
  • Average mass773.029 Da
  • Monoisotopic mass772.525452 Da
  • ChemSpider ID24768134

  • 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

(9Z,12Z)-9,12-Octadécadiénoate de (9Z,21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacos-9-én-21-yle [French] [ACD/IUPAC Name]
(9Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-9-en-21-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(9Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-9-en-21-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
PG(18:1(9Z)/18:2(9Z,12Z))
(2S)-2,3-dihydroxypropoxy(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid
1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-glycero-3-phospho-(1'-sn-glycerol)
1-(9Z-Octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-glycerol)
1-Oleoyl-2-linoleoyl-sn-glycero-3-phosphoglycerol
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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: 795.5±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: 434.9±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 215.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.60
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 73725.08
ACD/KOC (pH 5.5): 11273.26
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 62352.06
ACD/KOC (pH 7.4): 9534.23
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 739.8±3.0 cm3

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