ChemSpider 2D Image | 2-Methyl-2-propanyl 2-({[(2S)-4-methyl-1-oxo-1-({(2S)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-2-pentanyl]carbamoyl}oxy)-7-azaspiro[3.5]nonane-7-carboxylate | C27H44N4O7

2-Methyl-2-propanyl 2-({[(2S)-4-methyl-1-oxo-1-({(2S)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-2-pentanyl]carbamoyl}oxy)-7-azaspiro[3.5]nonane-7-carboxylate

  • Molecular FormulaC27H44N4O7
  • Average mass536.661 Da
  • Monoisotopic mass536.320984 Da
  • ChemSpider ID129238208

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-({[(2S)-4-Méthyl-1-oxo-1-({(2S)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-2-pentanyl]carbamoyl}oxy)-7-azaspiro[3.5]nonane-7-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-({[(2S)-4-methyl-1-oxo-1-({(2S)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-2-pentanyl]carbamoyl}oxy)-7-azaspiro[3.5]nonane-7-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-({[(2S)-4-methyl-1-oxo-1-({(2S)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-2-pentanyl]carbamoyl}oxy)-7-azaspiro[3.5]nonan-7-carboxylat [German] [ACD/IUPAC Name]
7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-[[[[(1S)-1-[[[(1S)-1-formyl-2-[(3R)-2-oxo-3-pyrrolidinyl]ethyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]oxy]-, 1,1-dimethylethyl ester [ACD/Index 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: 747.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.1±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.99
ACD/KOC (pH 5.5): 154.10
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.99
ACD/KOC (pH 7.4): 154.04
Polar Surface Area: 143 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 443.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement