ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3S)-1-cyclohexyl-5-(1,3-dithian-2-yl)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-2-pentanyl]carbamate | C25H43NO5S2

2-Methyl-2-propanyl [(2S,3S)-1-cyclohexyl-5-(1,3-dithian-2-yl)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-2-pentanyl]carbamate

  • Molecular FormulaC25H43NO5S2
  • Average mass501.743 Da
  • Monoisotopic mass501.258270 Da
  • ChemSpider ID8499233

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[(2S,3S)-1-Cyclohexyl-5-(1,3-dithian-2-yl)-5-oxo-3-(tétrahydro-2H-pyran-2-yloxy)-2-pentanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S)-1-cyclohexyl-5-(1,3-dithian-2-yl)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-2-pentanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S)-1-cyclohexyl-5-(1,3-dithian-2-yl)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-2-pentanyl]carbamat [German] [ACD/IUPAC 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: 659.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13896.95
ACD/KOC (pH 5.5): 32143.24
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13896.48
ACD/KOC (pH 7.4): 32142.14
Polar Surface Area: 124 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 432.5±5.0 cm3

Click to predict properties on the Chemicalize site


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