ChemSpider 2D Image | PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) | C46H79O10P

PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))

  • Molecular FormulaC46H79O10P
  • Average mass823.087 Da
  • Monoisotopic mass822.541077 Da
  • ChemSpider ID24768142

  • 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

(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate 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 (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(9Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-9-en-21-yl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(2S)-2,3-dihydroxypropoxy(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxyphosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphinic acid
1-(9Z-Octadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'-glycerol)
1-Oleoyl-2-docosapentaenoyl-sn-glycero-3-phosphoglycerol
GPG(18:1/22:5)
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: 828.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 454.7±37.1 °C
Index of Refraction: 1.507
Molar Refractivity: 233.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 13.69
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 36961.17
ACD/KOC (pH 5.5): 6877.10
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 31259.82
ACD/KOC (pH 7.4): 5816.29
Polar Surface Area: 159 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 786.6±3.0 cm3

Click to predict properties on the Chemicalize site


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