ChemSpider 2D Image | PG(18:0/22:4(7Z,10Z,13Z,16Z)) | C46H83O10P

PG(18:0/22:4(7Z,10Z,13Z,16Z))

  • Molecular FormulaC46H83O10P
  • Average mass827.119 Da
  • Monoisotopic mass826.572388 Da
  • ChemSpider ID24768110

  • 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 (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
PG(18:0/22:4(7Z,10Z,13Z,16Z))
(2S)-2,3-dihydroxypropoxy(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(octadecanoyloxy)propoxyphosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid
1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-sn-glycerol)
1-Octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phospho-(1'-glycerol)
1-Stearoyl-2-adrenoyl-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: 828.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.1±6.0 kJ/mol
Flash Point: 455.1±37.1 °C
Index of Refraction: 1.497
Molar Refractivity: 233.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 14.88
ACD/LogD (pH 5.5): 9.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 81194.98
ACD/LogD (pH 7.4): 9.29
ACD/BCF (pH 7.4): 983571.56
ACD/KOC (pH 7.4): 68670.40
Polar Surface Area: 159 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 799.4±3.0 cm3

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