ChemSpider 2D Image | (5R,17R)-17-(Butyryloxy)-8,11,14-trihydroxy-8,14-dioxido-2,20-dioxo-3,7,9,13,15,19-hexaoxa-8lambda~5~,14lambda~5~-diphosphatetracosan-5-yl undecanoate | C31H58O17P2

(5R,17R)-17-(Butyryloxy)-8,11,14-trihydroxy-8,14-dioxido-2,20-dioxo-3,7,9,13,15,19-hexaoxa-8λ5,14λ5-diphosphatetracosan-5-yl undecanoate

  • Molecular FormulaC31H58O17P2
  • Average mass764.729 Da
  • Monoisotopic mass764.314941 Da
  • ChemSpider ID61714606

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,17R)-17-(Butyryloxy)-8,11,14-trihydroxy-8,14-dioxido-2,20-dioxo-3,7,9,13,15,19-hexaoxa-8λ5,14λ5-diphosphatetracosan-5-yl undecanoate [ACD/IUPAC Name]
(5R,17R)-17-(Butyryloxy)-8,11,14-trihydroxy-8,14-dioxido-2,20-dioxo-3,7,9,13,15,19-hexaoxa-8λ5,14λ5-diphosphatetracosan-5-yl-undecanoat [German] [ACD/IUPAC Name]
(5R,8S,14S,17R)-17-(Butyryloxy)-8,11,14-trihydroxy-8,14-dioxido-2,20-dioxo-3,7,9,13,15,19-hexaoxa-8λ5,14λ5-diphosphatetracosan-5-yl undecanoate [ACD/IUPAC Name]
(5R,8S,14S,17R)-17-(Butyryloxy)-8,11,14-trihydroxy-8,14-dioxido-2,20-dioxo-3,7,9,13,15,19-hexaoxa-8λ5,14λ5-diphosphatetracosan-5-yl-undecanoat [German] [ACD/IUPAC Name]
Undécanoate de (5R,17R)-17-(butyryloxy)-8,11,14-trihydroxy-2,20-dioxo-8,14-dioxydo-3,7,9,13,15,19-hexaoxa-8λ5,14λ5-diphosphatétracosan-5-yle [French] [ACD/IUPAC Name]
Undécanoate de (5R,8S,14S,17R)-17-(butyryloxy)-8,11,14-trihydroxy-2,20-dioxo-8,14-dioxydo-3,7,9,13,15,19-hexaoxa-8λ5,14λ5-diphosphatétracosan-5-yle [French] [ACD/IUPAC Name]
Undecanoic acid, (1R)-2-(acetyloxy)-1-[[[(S)-hydroxy[2-hydroxy-3-[[(S)-hydroxy[(2R)-2-(1-oxobutoxy)-3-[(1-oxopentyl)oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]methyl]ethyl ester [ACD/Index Name]
Undecanoic acid, (1R)-2-(acetyloxy)-1-[[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-2-(1-oxobutoxy)-3-[(1-oxopentyl)oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]methyl]ethyl ester [ACD/Index Name]
cardiolipin [Wiki]
CDL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 781.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 426.1±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 178.0±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 621.6±3.0 cm3

Click to predict properties on the Chemicalize site


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