ChemSpider 2D Image | (2R,14R,25Z,28Z)-5,8,11-Trihydroxy-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-14-[(9Z,12Z)-9,12-octadecadienoyloxy]-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5lambda~5~,11lambda~5~-diphosphatetratriaco nta-25,28-dien-1-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C85H144O17P2

(2R,14R,25Z,28Z)-5,8,11-Trihydroxy-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-14-[(9Z,12Z)-9,12-octadecadienoyloxy]-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriaco nta-25,28-dien-1-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC85H144O17P2
  • Average mass1499.990 Da
  • Monoisotopic mass1498.987915 Da
  • ChemSpider ID35032020

  • 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,25Z,28Z)-5,8,11-Trihydroxy-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-14-[(9Z,12Z)-9,12-octadecadienoyloxy]-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriaco nta-25,28-dien-1-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R,14R,25Z,28Z)-5,8,11-Trihydroxy-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-14-[(9Z,12Z)-9,12-octadecadienoyloxy]-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriaco nta-25,28-dien-1-yl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2R,14R,25Z,28Z)-5,8,11-trihydroxy-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-14-[(9Z,12Z)-9,12-octadecadienoyloxy]-17-oxo-5,11-dioxydo-4,6,10,12,16-pent ;aoxa-5λ5,11λ5-diphosphatétratriaconta-25,28-dién-1-yle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[[3-[[[(2R)-2,3-bis[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-2-hydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(8Z,11Z,14Z)-1-oxo-8 ,11,14-eicosatrien-1-yl]oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(2-hydroxy-3-{[hydroxy(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxyphosphoryl]oxy}propoxy)phosphinic acid
1'-[1-Eicsoate
1'-[1-Eicsoatetraenoyl-2-homo-g-linolenoyl-sn-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
1'-[1-Eicsoatetraenoyl-2-homo-γ-linolenoyl-sn-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
1'-[1-Eicsoic acid
Cardiolipin(20:4/20:3/18:2/18:2)
More...

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: 1165.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 194.6±6.0 kJ/mol
Flash Point: 658.7±37.1 °C
Index of Refraction: 1.506
Molar Refractivity: 428.8±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 79
#Rule of 5 Violations: 3
ACD/LogP: 28.56
ACD/LogD (pH 5.5): 18.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 170.0±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 1442.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement