ChemSpider 2D Image | (19R,31R)-22,25,28-Trihydroxy-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22lambda~5~,28lambda~5~-diphosphanonatetraconta-7,42-diene-19,31-diyl bis(9-hexadecenoate) | C73H134O17P2

(19R,31R)-22,25,28-Trihydroxy-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphanonatetraconta-7,42-diene-19,31-diyl bis(9-hexadecenoate)

  • Molecular FormulaC73H134O17P2
  • Average mass1345.782 Da
  • Monoisotopic mass1344.909668 Da
  • ChemSpider ID58827190

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(19R,31R)-22,25,28-Trihydroxy-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphanonatetraconta-7,42-dien-19,31-diyl-bis(9-hexadecenoat) [German] [ACD/IUPAC Name]
(19R,31R)-22,25,28-Trihydroxy-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphanonatetraconta-7,42-diene-19,31-diyl bis(9-hexadecenoate) [ACD/IUPAC Name]
9-Hexadecenoic acid, (2-hydroxy-1,3-propanediyl)bis[oxy(hydroxyphosphinyl)oxy(2R)-3,1,2-propanetriyl] ester [ACD/Index Name]
Bis(9-hexadécénoate) de (19R,31R)-22,25,28-trihydroxy-16,34-dioxo-22,28-dioxydo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphanonatétraconta-7,42-diène-19,31-diyle [French] [ACD/IUPAC Name]
(19R,31R)-22,25,28-trihydroxy-16,22,28,34-tetraoxo-17,21,23,27,29,33-hexaoxa-22λ(5),28λ(5)-diphosphanonatetraconta-7,42-diene-19,31-diyl dihexadec-9-enoate
1,1',2,2'-tetrahexadec-9-enoyl cardiolipin
1',3'-bis[1,2-bis(hexadec-9-enoyl)-sn-glycero-3-phospho]-sn-glycerol
cardiolipin (tetrahexadec-9-enoyl, n-C16:1)
CL(16:1/16:1/16:1/16:1)
tetrahexadec-9-enoyl cardiolipin
  • Miscellaneous

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1090.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 181.1±6.0 kJ/mol
Flash Point: 613.4±37.1 °C
Index of Refraction: 1.490
Molar Refractivity: 372.8±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 74
#Rule of 5 Violations: 3
ACD/LogP: 26.29
ACD/LogD (pH 5.5): 17.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 147.8±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 1289.3±3.0 cm3

Click to predict properties on the Chemicalize site


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