Found 23 results

Search term: MF = 'C_{37}H_{47}NO_{4}'
ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (1R,2S,3R,4S,5S,6S)-5-methyl-2,4-diphenyl-6-{[(1R)-1-phenylethyl]amino}-1,3-cyclohexanedicarboxylate | C37H47NO4

Bis(2-methyl-2-propanyl) (1R,2S,3R,4S,5S,6S)-5-methyl-2,4-diphenyl-6-{[(1R)-1-phenylethyl]amino}-1,3-cyclohexanedicarboxylate

  • Molecular FormulaC37H47NO4
  • Average mass569.773 Da
  • Monoisotopic mass569.350525 Da
  • ChemSpider ID21429898

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2S,3R,4S,5S,6S)-5-Méthyl-2,4-diphényl-6-{[(1R)-1-phényléthyl]amino}-1,3-cyclohexanedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3-Cyclohexanedicarboxylic acid, 5-methyl-2,4-diphenyl-6-[[(1R)-1-phenylethyl]amino]-, bis(1,1-dimethylethyl) ester, (1R,2S,3R,4S,5S,6S)- [ACD/Index Name]
Bis(2-methyl-2-propanyl) (1R,2S,3R,4S,5S,6S)-5-methyl-2,4-diphenyl-6-{[(1R)-1-phenylethyl]amino}-1,3-cyclohexanedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(1R,2S,3R,4S,5S,6S)-5-methyl-2,4-diphenyl-6-{[(1R)-1-phenylethyl]amino}-1,3-cyclohexandicarboxylat [German] [ACD/IUPAC 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: 637.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.6±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 169.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 1086.01
ACD/KOC (pH 5.5): 815.49
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 38827.29
ACD/KOC (pH 7.4): 29155.87
Polar Surface Area: 65 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 516.7±5.0 cm3

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