Found 23 results

Search term: MF = 'C_{37}H_{47}NO_{4}'
ChemSpider 2D Image | 1-Ethyl 5-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (3S)-N,N-dibenzyl-3-phenyl-L-glutamate | C37H47NO4

1-Ethyl 5-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (3S)-N,N-dibenzyl-3-phenyl-L-glutamate

  • Molecular FormulaC37H47NO4
  • Average mass569.773 Da
  • Monoisotopic mass569.350525 Da
  • ChemSpider ID8873621

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S)-N,N-Dibenzyl-3-phényl-L-glutamate de 1-éthyle et de 5-[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle] [French] [ACD/IUPAC Name]
1-Ethyl 5-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (3S)-N,N-dibenzyl-3-phenyl-L-glutamate [ACD/IUPAC Name]
1-Ethyl-5-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-(3S)-N,N-dibenzyl-3-phenyl-L-glutamat [German] [ACD/IUPAC Name]
L-Glutamic acid, 3-phenyl-N,N-bis(phenylmethyl)-, 1-ethyl 5-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester, (3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.5±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.20
ACD/LogD (pH 5.5): 9.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4040905.50
ACD/LogD (pH 7.4): 9.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4689642.50
Polar Surface Area: 56 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 514.1±5.0 cm3

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