Found 107 results

Search term: MF = 'C_{28}H_{47}N_{3}O_{5}S'
ChemSpider 2D Image | 2-Methyl-2-propanyl [(2R,3S,5R)-1-(benzylsulfanyl)-6-{[(2S)-1-(butylamino)-3-methyl-1-oxo-2-butanyl]amino}-3-hydroxy-5-methyl-6-oxo-2-hexanyl]carbamate | C28H47N3O5S

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

  • Molecular FormulaC28H47N3O5S
  • Average mass537.755 Da
  • Monoisotopic mass537.323669 Da
  • ChemSpider ID10021117

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2R,3S,5R)-1-(Benzylsulfanyl)-6-{[(2S)-1-(butylamino)-3-méthyl-1-oxo-2-butanyl]amino}-3-hydroxy-5-méthyl-6-oxo-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2R,3S,5R)-1-(benzylsulfanyl)-6-{[(2S)-1-(butylamino)-3-methyl-1-oxo-2-butanyl]amino}-3-hydroxy-5-methyl-6-oxo-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2R,3S,5R)-1-(benzylsulfanyl)-6-{[(2S)-1-(butylamino)-3-methyl-1-oxo-2-butanyl]amino}-3-hydroxy-5-methyl-6-oxo-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
906663-09-0 [RN]
tert-butyl N-[(2R,3S,5R)-1-(benzylsulfanyl)-5-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-5-methylpentan-2-yl]carbamate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 751.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 150.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2304.45
ACD/KOC (pH 5.5): 8882.23
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2304.31
ACD/KOC (pH 7.4): 8881.68
Polar Surface Area: 142 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 490.0±3.0 cm3

Click to predict properties on the Chemicalize site


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