ChemSpider 2D Image | 2-Methyl-2-propanyl 4-({[4-(ethoxycarbonyl)-1-methyl-1H-pyrazol-5-yl]methyl}[(9H-fluoren-9-ylmethoxy)carbonyl]amino)-1-azaspiro[5.5]undecane-1-carboxylate | C38H48N4O6

2-Methyl-2-propanyl 4-({[4-(ethoxycarbonyl)-1-methyl-1H-pyrazol-5-yl]methyl}[(9H-fluoren-9-ylmethoxy)carbonyl]amino)-1-azaspiro[5.5]undecane-1-carboxylate

  • Molecular FormulaC38H48N4O6
  • Average mass656.811 Da
  • Monoisotopic mass656.357361 Da
  • ChemSpider ID65012885

More details:

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

1-Azaspiro[5.5]undecane-1-carboxylic acid, 4-[[[4-(ethoxycarbonyl)-1-methyl-1H-pyrazol-5-yl]methyl][(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({[4-(ethoxycarbonyl)-1-methyl-1H-pyrazol-5-yl]methyl}[(9H-fluoren-9-ylmethoxy)carbonyl]amino)-1-azaspiro[5.5]undecane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({[4-(ethoxycarbonyl)-1-methyl-1H-pyrazol-5-yl]methyl}[(9H-fluoren-9-ylmethoxy)carbonyl]amino)-1-azaspiro[5.5]undecan-1-carboxylat [German] [ACD/IUPAC Name]
4-({[4-(Éthoxycarbonyl)-1-méthyl-1H-pyrazol-5-yl]méthyl}[(9H-fluorén-9-ylméthoxy)carbonyl]amino)-1-azaspiro[5.5]undécane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 777.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.0±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 184.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 433692.81
ACD/KOC (pH 5.5): 377282.66
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 433693.78
ACD/KOC (pH 7.4): 377283.47
Polar Surface Area: 103 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 526.6±7.0 cm3

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