ChemSpider 2D Image | 2-{1-Hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoic acid | C81H158O4

2-{1-Hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoic acid

  • Molecular FormulaC81H158O4
  • Average mass1196.119 Da
  • Monoisotopic mass1195.216064 Da
  • ChemSpider ID29368220

More details:

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

2-{1-Hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoic acid [ACD/IUPAC Name]
2-{1-Hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosansäure [German] [ACD/IUPAC Name]
Acide 2-{1-hydroxy-15-[2-(19-méthyl-18-oxooctatriacontyl)cyclopropyl]pentadécyl}tétracosanoïque [French] [ACD/IUPAC Name]
Cyclopropaneheptadecanoic acid, α-docosyl-β-hydroxy-2-(19-methyl-18-oxooctatriacontyl)- [ACD/Index Name]
keto meromycolic acid
ketomeromycolic acid
keto-meromycolic acid

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

Density: 0.9±0.1 g/cm3
Boiling Point: 1032.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.9±6.0 kJ/mol
Flash Point: 591.8±23.8 °C
Index of Refraction: 1.476
Molar Refractivity: 378.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 75
#Rule of 5 Violations: 2
ACD/LogP: 36.17
ACD/LogD (pH 5.5): 32.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 30.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 75 Å2
Polarizability: 150.0±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 1340.3±3.0 cm3

Click to predict properties on the Chemicalize site


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