ChemSpider 2D Image | (6Z,9Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-20-oxo-21,25,27-trioxa-26lambda~5~-phosphatriaconta-6,9-dien-23-yl (13Z,16Z)-13,16-docosadienoate | C48H87O10P

(6Z,9Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphatriaconta-6,9-dien-23-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC48H87O10P
  • Average mass855.172 Da
  • Monoisotopic mass854.603699 Da
  • ChemSpider ID113377289

  • 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

(13Z,16Z)-13,16-Docosadiénoate de (6Z,9Z,23R,29S)-26,29,30-trihydroxy-20-oxo-26-oxydo-21,25,27-trioxa-26λ5-phosphatriaconta-6,9-dién-23-yle [French] [ACD/IUPAC Name]
(6Z,9Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphatriaconta-6,9-dien-23-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(6Z,9Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphatriaconta-6,9-dien-23-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
1-(11Z,14Z-eicosadienoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(20:2(11Z,14Z)/22:2(13Z,16Z))
PG(20:2_22:2)
PG(42:4)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 845.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.7±6.0 kJ/mol
Flash Point: 465.0±37.1 °C
Index of Refraction: 1.496
Molar Refractivity: 243.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 3
ACD/LogP: 16.27
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 996885.56
ACD/KOC (pH 5.5): 72716.00
ACD/LogD (pH 7.4): 9.20
ACD/BCF (pH 7.4): 843103.56
ACD/KOC (pH 7.4): 61498.65
Polar Surface Area: 159 Å2
Polarizability: 96.4±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 832.4±3.0 cm3

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