ChemSpider 2D Image | (2R,14R,27Z)-5,8,11-Trihydroxy-2-[(9Z)-9-octadecenoyloxy]-5,11-dioxido-17-oxo-14-(palmitoyloxy)-4,6,10,12,16-pentaoxa-5lambda~5~,11lambda~5~-diphosphatetratriacont-27-en-1-yl (9Z,12Z)-9,12-octadecadie noate | C79H146O17P2

(2R,14R,27Z)-5,8,11-Trihydroxy-2-[(9Z)-9-octadecenoyloxy]-5,11-dioxido-17-oxo-14-(palmitoyloxy)-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriacont-27-en-1-yl (9Z,12Z)-9,12-octadecadie noate

  • Molecular FormulaC79H146O17P2
  • Average mass1429.942 Da
  • Monoisotopic mass1429.003540 Da
  • ChemSpider ID35031970

  • 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

(2R,14R,27Z)-5,8,11-Trihydroxy-2-[(9Z)-9-octadecenoyloxy]-5,11-dioxido-17-oxo-14-(palmitoyloxy)-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriacont-27-en-1-yl (9Z,12Z)-9,12-octadecadie noate [ACD/IUPAC Name]
(2R,14R,27Z)-5,8,11-Trihydroxy-2-[(9Z)-9-octadecenoyloxy]-5,11-dioxido-17-oxo-14-(palmitoyloxy)-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriacont-27-en-1-yl-(9Z,12Z)-9,12-octadecadie noat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2R,14R,27Z)-5,8,11-trihydroxy-2-[(9Z)-9-octadecenoyloxy]-17-oxo-5,11-dioxydo-14-(palmitoyloxy)-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatétratriacont-27 -én-1-yle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2R)-3-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-2-[(1-oxohexadecyl)oxy]-3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-2-[[(9Z)-1-oxo-9-oct adecen-1-yl]oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy(2-hydroxy-3-{[hydroxy(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy)phosphinic acid
1'-[1-Linoleoyl-2-oleoyl-sn-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
Cardiolipin(18:2/18:1/18:1/18:1)
Cardiolipin(18:2n6/18:1n9/18:1n7/18:1n7)
Cardiolipin(18:2w6/18:1w9/18:1w7/18:1w7)
Cardiolipin(72:5)
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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: 1129.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.1±6.0 kJ/mol
Flash Point: 637.0±37.1 °C
Index of Refraction: 1.489
Molar Refractivity: 400.6±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 80
#Rule of 5 Violations: 3
ACD/LogP: 29.48
ACD/LogD (pH 5.5): 21.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.25
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: 39.8±3.0 dyne/cm
Molar Volume: 1388.3±3.0 cm3

Click to predict properties on the Chemicalize site


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