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Search term: WJKJRPLMXNXGSG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-3-Hydroxy-3-methyl-2-[6-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]butyl palmitate | C34H55NO3

(2R)-3-Hydroxy-3-methyl-2-[6-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]butyl palmitate

  • Molecular FormulaC34H55NO3
  • Average mass525.805 Da
  • Monoisotopic mass525.418213 Da
  • ChemSpider ID8159936

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-Hydroxy-3-methyl-2-[6-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]butyl palmitate [ACD/IUPAC Name]
(2R)-3-Hydroxy-3-methyl-2-[6-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]butylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (2R)-3-hydroxy-3-methyl-2-[6-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]butyl ester [ACD/Index Name]
Palmitate de (2R)-3-hydroxy-3-méthyl-2-[6-(3-méthyl-2-butén-1-yl)-1H-indol-3-yl]butyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 625.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 331.9±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 162.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 11.48
ACD/LogD (pH 5.5): 11.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 525.9±3.0 cm3

Click to predict properties on the Chemicalize site


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