ChemSpider 2D Image | trilinoleoyl 2-monolysocardiolipin | C63H112O16P2

trilinoleoyl 2-monolysocardiolipin

  • Molecular FormulaC63H112O16P2
  • Average mass1187.501 Da
  • Monoisotopic mass1186.742554 Da
  • ChemSpider ID34448985

  • 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

(6Z,9Z,21R,33R,44Z,47Z)-24,27,30,33-Tetrahydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44,47-tetraen-21-yl (9Z,12Z)-9,12-octadecadienoa te [ACD/IUPAC Name]
(6Z,9Z,21R,33R,44Z,47Z)-24,27,30,33-Tetrahydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44,47-tetraen-21-yl-(9Z,12Z)-9,12-octadecadienoa t [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (6Z,9Z,21R,33R,44Z,47Z)-24,27,30,33-tétrahydroxy-18,36-dioxo-24,30-dioxydo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44,47-tétraén- 21-yle [French] [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-hydroxypropyl ester, (9Z,12Z) - [ACD/Index Name]
trilinoleoyl 2-monolysocardiolipin
(6Z,9Z,21R,33R,44Z,47Z)-24,27,30,33-tetrahydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ(5),30λ(5)-diphosphatripentaconta-6,9,44,47-tetraen-21-yl (9Z,12Z)-octadeca-9,12-dieno
(6Z,9Z,21R,33R,44Z,47Z)-24,27,30,33-tetrahydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ(5),30λ(5)-diphosphatripentaconta-6,9,44,47-tetraen-21-yl (9Z,12Z)-octadeca-9,12-dienoate
1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol
1'-[1,2-dilinoleoyl-sn-glycero-3-phospho]-3'-[1-linoleoyl-sn-glycero-3-phospho]-glycerol
ATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1030.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.5±6.0 kJ/mol
Flash Point: 576.9±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 326.3±0.3 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 3
ACD/LogP: 20.41
ACD/LogD (pH 5.5): 11.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 347981.28
ACD/LogD (pH 7.4): 11.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 347579.56
Polar Surface Area: 251 Å2
Polarizability: 129.4±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 1105.5±3.0 cm3

Click to predict properties on the Chemicalize site


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