ChemSpider 2D Image | (2R)-2-{(1R)-1-Hydroxy-12-[(1S,2R)-2-{14-[(1S,2R)-2-icosylcyclopropyl]tetradecyl}cyclopropyl]dodecyl}hexacosanoic acid | C78H152O3

(2R)-2-{(1R)-1-Hydroxy-12-[(1S,2R)-2-{14-[(1S,2R)-2-icosylcyclopropyl]tetradecyl}cyclopropyl]dodecyl}hexacosanoic acid

  • Molecular FormulaC78H152O3
  • Average mass1138.040 Da
  • Monoisotopic mass1137.174194 Da
  • ChemSpider ID26332768

  • 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-12-[(1S,2R)-2-{14-[(1S,2R)-2-icosylcyclopropyl]tetradecyl}cyclopropyl]dodecyl}hexacosanoic acid [ACD/IUPAC Name]
(2R)-2-{(1R)-1-Hydroxy-12-[(1S,2R)-2-{14-[(1S,2R)-2-icosylcyclopropyl]tetradecyl}cyclopropyl]dodecyl}hexacosansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-{(1R)-1-hydroxy-12-[(1S,2R)-2-{14-[(1S,2R)-2-icosylcyclopropyl]tétradécyl}cyclopropyl]dodécyl}hexacosanoïque [French] [ACD/IUPAC Name]
Cyclopropanetetradecanoic acid, 2-[14-[(1S,2R)-2-eicosylcyclopropyl]tetradecyl]-β-hydroxy-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: 998.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.0±6.0 kJ/mol
Flash Point: 571.3±26.1 °C
Index of Refraction: 1.479
Molar Refractivity: 362.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 71
#Rule of 5 Violations: 2
ACD/LogP: 36.53
ACD/LogD (pH 5.5): 33.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 31.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 58 Å2
Polarizability: 143.7±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 1277.5±3.0 cm3

Click to predict properties on the Chemicalize site


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