ChemSpider 2D Image | (6Z,9Z,21R,33R,44Z)-24,27,30-Trihydroxy-33-[(9Z,12Z)-9,12-octadecadienoyloxy]-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-diphosphatripentaconta-6,9,44-trien-21-yl icos anoate | C83H152O17P2

(6Z,9Z,21R,33R,44Z)-24,27,30-Trihydroxy-33-[(9Z,12Z)-9,12-octadecadienoyloxy]-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44-trien-21-yl icos anoate

  • Molecular FormulaC83H152O17P2
  • Average mass1484.032 Da
  • Monoisotopic mass1483.050415 Da
  • ChemSpider ID113380038

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6Z,9Z,21R,33R,44Z)-24,27,30-Trihydroxy-33-[(9Z,12Z)-9,12-octadecadienoyloxy]-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44-trien-21-yl icos anoate [ACD/IUPAC Name]
(6Z,9Z,21R,33R,44Z)-24,27,30-Trihydroxy-33-[(9Z,12Z)-9,12-octadecadienoyloxy]-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44-trien-21-yl-icos anoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (1R)-2-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-1-[[[(9Z, 12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Icosanoate de (6Z,9Z,21R,33R,44Z)-24,27,30-trihydroxy-33-[(9Z,12Z)-9,12-octadecadienoyloxy]-18,36-dioxo-24,30-dioxydo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44-tr ién-21-yle [French] [ACD/IUPAC Name]
1'-[1-(9Z,12Z-octadecadienoyl)-2-eicosanoyl-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
CL(18:118:218:2_20:0)
CL(74:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1154.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 192.6±6.0 kJ/mol
Flash Point: 652.3±37.1 °C
Index of Refraction: 1.491
Molar Refractivity: 419.2±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 83
#Rule of 5 Violations: 3
ACD/LogP: 31.09
ACD/LogD (pH 5.5): 22.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 166.2±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 1448.0±3.0 cm3

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