ChemSpider 2D Image | (2R)-2-[(1R)-1-Hydroxy-16-{(1S,2R)-2-[(19S,20S)-19-hydroxy-20-methyloctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid | C84H166O4

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

  • Molecular FormulaC84H166O4
  • Average mass1240.214 Da
  • Monoisotopic mass1239.278564 Da
  • ChemSpider ID26332778

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-2-[(1R)-1-Hydroxy-16-{(1S,2R)-2-[(19S,20S)-19-hydroxy-20-methyloctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid [ACD/IUPAC Name]
(2R)-2-[(1R)-1-Hydroxy-16-{(1S,2R)-2-[(19S,20S)-19-hydroxy-20-methyloctatriacontyl]cyclopropyl}hexadecyl]hexacosansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-[(1R)-1-hydroxy-16-{(1S,2R)-2-[(19S,20S)-19-hydroxy-20-méthyloctatriacontyl]cyclopropyl}hexadécyl]hexacosanoïque [French] [ACD/IUPAC Name]
Cyclopropaneoctadecanoic acid, β-hydroxy-2-[(19S,20S)-19-hydroxy-20-methyloctatriacontyl]-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: 1055.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.9±6.0 kJ/mol
Flash Point: 606.0±23.8 °C
Index of Refraction: 1.478
Molar Refractivity: 393.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 78
#Rule of 5 Violations: 2
ACD/LogP: 38.08
ACD/LogD (pH 5.5): 34.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 32.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 78 Å2
Polarizability: 156.1±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 1390.5±3.0 cm3

Click to predict properties on the Chemicalize site


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