ChemSpider 2D Image | Ethyl 1-{[3,4,5-triacetoxy-6-({[2-(allylsulfanyl)-3-pyridinyl]carbonyl}amino)tetrahydro-2H-pyran-2-yl]carbonyl}-4-piperidinecarboxylate | C29H37N3O11S

Ethyl 1-{[3,4,5-triacetoxy-6-({[2-(allylsulfanyl)-3-pyridinyl]carbonyl}amino)tetrahydro-2H-pyran-2-yl]carbonyl}-4-piperidinecarboxylate

  • Molecular FormulaC29H37N3O11S
  • Average mass635.683 Da
  • Monoisotopic mass635.214905 Da
  • ChemSpider ID2667765

More details:

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

1-{[3,4,5-Triacétoxy-6-({[2-(allylsulfanyl)-3-pyridinyl]carbonyl}amino)tétrahydro-2H-pyran-2-yl]carbonyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1-{[3,4,5-triacetoxy-6-({[2-(allylsulfanyl)-3-pyridinyl]carbonyl}amino)tetrahydro-2H-pyran-2-yl]carbonyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[3,4,5-triacetoxy-6-({[2-(allylsulfanyl)-3-pyridinyl]carbonyl}amino)tetrahydro-2H-pyran-2-yl]carbonyl}-4-piperidincarboxylat [German] [ACD/IUPAC 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: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.6±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 156.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 71.93
ACD/KOC (pH 5.5): 742.68
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 71.87
ACD/KOC (pH 7.4): 742.06
Polar Surface Area: 202 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 472.8±5.0 cm3

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