ChemSpider 2D Image | (21R,33R,44Z)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-33-(palmitoyloxy)-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-diphosphatripentacont-44-en-21-yl icosanoate | C81H156O17P2

(21R,33R,44Z)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-33-(palmitoyloxy)-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacont-44-en-21-yl icosanoate

  • Molecular FormulaC81H156O17P2
  • Average mass1464.043 Da
  • Monoisotopic mass1463.081787 Da
  • ChemSpider ID113379834

  • 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

(21R,33R,44Z)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-33-(palmitoyloxy)-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacont-44-en-21-yl icosanoate [ACD/IUPAC Name]
(21R,33R,44Z)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-33-(palmitoyloxy)-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacont-44-en-21-yl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (1R)-2-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-2-[(1-oxohexadecyl)oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]e thyl ester [ACD/Index Name]
Icosanoate de (21R,33R,44Z)-24,27,30-trihydroxy-18,36-dioxo-24,30-dioxydo-33-(palmitoyloxy)-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacont-44-én-21-yle [French] [ACD/IUPAC Name]
1'-[1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
CL(1'-[18:1(9Z)/16:0],3'-[18:0/20:0])
CL(16:018:018:1_20:0)
CL(72:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1143.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.6±6.0 kJ/mol
Flash Point: 645.4±37.1 °C
Index of Refraction: 1.481
Molar Refractivity: 409.7±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 85
#Rule of 5 Violations: 3
ACD/LogP: 32.10
ACD/LogD (pH 5.5): 24.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 162.4±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 1440.5±3.0 cm3

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