ChemSpider 2D Image | (2R,14R,26Z)-5,8,11-Trihydroxy-5,11-dioxido-16-oxo-2-(palmitoyloxy)-14-[(palmitoyloxy)methyl]-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-26-en-1-yl (5Z,8Z,11Z,14Z)-5,8,11,14-ico satetraenoate | C79H144O17P2

(2R,14R,26Z)-5,8,11-Trihydroxy-5,11-dioxido-16-oxo-2-(palmitoyloxy)-14-[(palmitoyloxy)methyl]-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphatritriacont-26-en-1-yl (5Z,8Z,11Z,14Z)-5,8,11,14-ico satetraenoate

  • Molecular FormulaC79H144O17P2
  • Average mass1427.926 Da
  • Monoisotopic mass1426.987915 Da
  • ChemSpider ID35028699

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,14R,26Z)-5,8,11-Trihydroxy-5,11-dioxido-16-oxo-2-(palmitoyloxy)-14-[(palmitoyloxy)methyl]-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphatritriacont-26-en-1-yl (5Z,8Z,11Z,14Z)-5,8,11,14-ico satetraenoate [ACD/IUPAC Name]
(2R,14R,26Z)-5,8,11-Trihydroxy-5,11-dioxido-16-oxo-2-(palmitoyloxy)-14-[(palmitoyloxy)methyl]-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphatritriacont-26-en-1-yl-(5Z,8Z,11Z,14Z)-5,8,11,14-ico satetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2R,14R,26Z)-5,8,11-trihydroxy-16-oxo-5,11-dioxydo-2-(palmitoyloxy)-14-[(palmitoyloxy)méthyl]-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphatritri acont-26-én-1-yle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2R)-3-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-2-[(1-oxohexad ecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
1'-[1-Palmitoyl-2-vaccenoyl-sn-glycero-3-phospho],3'-[1,2-diarachidonoyl-rac-glycero-3-phospho]-glycerol
3-{[(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-(hexadecanoyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxyphosphinic acid
Cardiolipin(16:0/18:1/20:4/20:4)
Cardiolipin(74:9)
CL(1'-[16:0/18:1(11Z)],3'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)])
CL(16:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/16:0)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 1129.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.0±6.0 kJ/mol
Flash Point: 636.8±37.1 °C
Index of Refraction: 1.492
Molar Refractivity: 400.6±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 79
#Rule of 5 Violations: 3
ACD/LogP: 28.76
ACD/LogD (pH 5.5): 21.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 158.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 1382.0±3.0 cm3

Click to predict properties on the Chemicalize site


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