ChemSpider 2D Image | (2R)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-hydroxy-1,3-propanediyl (2R)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl bis(phosphate) | C81H142O17P2

(2R)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-hydroxy-1,3-propanediyl (2R)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl bis(phosphate)

  • Molecular FormulaC81H142O17P2
  • Average mass1449.933 Da
  • Monoisotopic mass1448.973267 Da
  • ChemSpider ID34448798

  • Charge - Charge

    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)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-hydroxy-1,3-propanediyl (2R)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl bis(phosphate) [ACD/IUPAC Name]
(2R)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-2-hydroxy-1,3-propandiyl-(2R)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propylbis(phosphat) [German] [ACD/IUPAC Name]
9,12-Octadecadienoic 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-[[(9Z)-1-oxo-9-octadecen-1-yl ]oxy]propyl ester, ion(2-), (9Z,12Z)- [ACD/Index Name]
Bis(phosphate) de (2R)-2,3-bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyle et de 2-hydroxy-1,3-propanediyle et de (2R)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-hydroxypropane-1,3-diyl (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl bis(phosphate)
1,1',2-trilinoleoyl-2'-oleoyl cardiolipin(2-)
1,1',2-trilinoleoyl-2'-oleoyl CL(2-)
1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
1'-[1,2-dilinoleoyl-sn-glycero-3-phospho]-3'-[1-linoleoyl-2-oleoyl-sn-glycero-3-phospho]-glycerol(2-)
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))(2-)
  • Miscellaneous

    • Chemical Class:

      A cardiolipin 72:7(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin; major species at pH 7.3. ChEBI CHEBI:83582

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

Density:
Boiling Point: 1141.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.2±6.0 kJ/mol
Flash Point: 644.2±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 79
#Rule of 5 Violations: 3
ACD/LogP: 28.99
ACD/LogD (pH 5.5): 20.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 262 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement