ChemSpider 2D Image | (2R)-2-[(1R)-1-Hydroxy-16-{(1S,2R)-2-[(20S)-20-methyl-19-oxooctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid | C84H164O4

(2R)-2-[(1R)-1-Hydroxy-16-{(1S,2R)-2-[(20S)-20-methyl-19-oxooctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid

  • Molecular FormulaC84H164O4
  • Average mass1238.199 Da
  • Monoisotopic mass1237.262939 Da
  • ChemSpider ID26332771

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-2-[(1R)-1-Hydroxy-16-{(1S,2R)-2-[(20S)-20-methyl-19-oxooctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid [ACD/IUPAC Name]
(2R)-2-[(1R)-1-Hydroxy-16-{(1S,2R)-2-[(20S)-20-methyl-19-oxooctatriacontyl]cyclopropyl}hexadecyl]hexacosansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-[(1R)-1-hydroxy-16-{(1S,2R)-2-[(20S)-20-méthyl-19-oxooctatriacontyl]cyclopropyl}hexadécyl]hexacosanoïque [French] [ACD/IUPAC Name]
Cyclopropaneoctadecanoic acid, β-hydroxy-2-[(20S)-20-methyl-19-oxooctatriacontyl]-α-tetracosyl-, (αR,βR,1S,2R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 1053.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.5±6.0 kJ/mol
Flash Point: 604.5±23.8 °C
Index of Refraction: 1.476
Molar Refractivity: 392.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 78
#Rule of 5 Violations: 2
ACD/LogP: 37.76
ACD/LogD (pH 5.5): 34.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 32.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 75 Å2
Polarizability: 155.5±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 1389.8±3.0 cm3

Click to predict properties on the Chemicalize site


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