ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-3-(benzyloxy)-1-({(1R,2S)-1-[(1R,2S)-2-(cyclohexylcarbamoyl)cyclopropyl]-1,3-dihydroxy-2-propanyl}amino)-1-oxo-2-propanyl]carbamate | C28H43N3O7

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

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID26627921

  • 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-[(1R,2S)-2-(cyclohexylcarbamoyl)cyclopropyl]-1,3-dihydroxy-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-[(1R,2S)-2-(cyclohexylcarbamoyl)cyclopropyl]-1,3-dihydroxy-2-propanyl}amino)-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-3-(benzyloxy)-1-({(1R,2S)-1-[(1R,2S)-2-(cyclohexylcarbamoyl)cyclopropyl]-1,3-dihydroxy-2-propanyl}amino)-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[(1S,2R)-2-[(1R,2S)-2-[(cyclohexylamino)carbonyl]cyclopropyl]-2-hydroxy-1-(hydroxymethyl)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: 1.2±0.1 g/cm3
Boiling Point: 811.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.7±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.67
ACD/KOC (pH 5.5): 493.80
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.64
ACD/KOC (pH 7.4): 493.44
Polar Surface Area: 146 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 434.7±5.0 cm3

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