ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,2S,7R)-2-hydroxy-7-{[(1R)-1-(4-methoxyphenyl)ethyl](methyl)amino}-3-cycloheptene-1-carboxylate | C22H33NO4

2-Methyl-2-propanyl (1S,2S,7R)-2-hydroxy-7-{[(1R)-1-(4-methoxyphenyl)ethyl](methyl)amino}-3-cycloheptene-1-carboxylate

  • Molecular FormulaC22H33NO4
  • Average mass375.502 Da
  • Monoisotopic mass375.240967 Da
  • ChemSpider ID30651994

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,7R)-2-Hydroxy-7-{[(1R)-1-(4-méthoxyphényl)éthyl](méthyl)amino}-3-cycloheptène-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,2S,7R)-2-hydroxy-7-{[(1R)-1-(4-methoxyphenyl)ethyl](methyl)amino}-3-cycloheptene-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,2S,7R)-2-hydroxy-7-{[(1R)-1-(4-methoxyphenyl)ethyl](methyl)amino}-3-cyclohepten-1-carboxylat [German] [ACD/IUPAC Name]
3-Cycloheptene-1-carboxylic acid, 2-hydroxy-7-[[(1R)-1-(4-methoxyphenyl)ethyl]methylamino]-, 1,1-dimethylethyl ester, (1S,2S,7R)- [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: 477.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.6±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.67
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 41.60
ACD/KOC (pH 7.4): 336.92
Polar Surface Area: 59 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 341.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement