ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-{[(2R,3S,5R)-1-(benzylsulfanyl)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-2-hexanyl]amino}-1-oxo-2-propanyl]carbamate | C26H43N3O5S

2-Methyl-2-propanyl [(2S)-1-{[(2R,3S,5R)-1-(benzylsulfanyl)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-2-hexanyl]amino}-1-oxo-2-propanyl]carbamate

  • Molecular FormulaC26H43N3O5S
  • Average mass509.702 Da
  • Monoisotopic mass509.292328 Da
  • ChemSpider ID10020777

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-{[(2R,3S,5R)-1-(Benzylsulfanyl)-6-(butylamino)-3-hydroxy-5-méthyl-6-oxo-2-hexanyl]amino}-1-oxo-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-{[(2R,3S,5R)-1-(benzylsulfanyl)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-2-hexanyl]amino}-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-{[(2R,3S,5R)-1-(benzylsulfanyl)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-2-hexanyl]amino}-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC 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: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.6±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 307.33
ACD/KOC (pH 5.5): 2100.07
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.27
ACD/KOC (pH 7.4): 2099.63
Polar Surface Area: 142 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 456.6±3.0 cm3

Click to predict properties on the Chemicalize site


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