ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-3-(benzyloxy)-1-({(1R,2S)-1,3-dihydroxy-1-[(1R,2S)-2-(1-pyrrolidinylcarbonyl)cyclopropyl]-2-propanyl}amino)-1-oxo-2-propanyl]carbamate | C26H39N3O7

2-Methyl-2-propanyl [(2S)-3-(benzyloxy)-1-({(1R,2S)-1,3-dihydroxy-1-[(1R,2S)-2-(1-pyrrolidinylcarbonyl)cyclopropyl]-2-propanyl}amino)-1-oxo-2-propanyl]carbamate

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID26626967

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S)-3-(Benzyloxy)-1-({(1R,2S)-1,3-dihydroxy-1-[(1R,2S)-2-(1-pyrrolidinylcarbonyl)cyclopropyl]-2-propanyl}amino)-1-oxo-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-3-(benzyloxy)-1-({(1R,2S)-1,3-dihydroxy-1-[(1R,2S)-2-(1-pyrrolidinylcarbonyl)cyclopropyl]-2-propanyl}amino)-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-3-(benzyloxy)-1-({(1R,2S)-1,3-dihydroxy-1-[(1R,2S)-2-(1-pyrrolidinylcarbonyl)cyclopropyl]-2-propanyl}amino)-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2-[(1R,2S)-2-(1-pyrrolidinylcarbonyl)cyclopropyl]ethyl]amino]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.5±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.88
ACD/KOC (pH 5.5): 263.13
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.87
ACD/KOC (pH 7.4): 262.94
Polar Surface Area: 137 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 402.1±3.0 cm3

Click to predict properties on the Chemicalize site


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