ChemSpider 2D Image | Benzyl 7-oxo-6-{[(6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenoyl]amino}-2-azepanyl carbonate | C26H38N2O9

Benzyl 7-oxo-6-{[(6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenoyl]amino}-2-azepanyl carbonate

  • Molecular FormulaC26H38N2O9
  • Average mass522.588 Da
  • Monoisotopic mass522.257751 Da
  • ChemSpider ID8340557

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzyl 7-oxo-6-{[(6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenoyl]amino}-2-azepanyl carbonate [ACD/IUPAC Name]
Benzyl-7-oxo-6-{[(6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenoyl]amino}-2-azepanylcarbonat [German] [ACD/IUPAC Name]
Carbonate de benzyle et de 7-oxo-6-{[(6E)-3,4,5-trihydroxy-2-méthoxy-8,8-diméthyl-6-nonenoyl]amino}-2-azépanyle [French] [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: 824.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 452.7±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.86
ACD/KOC (pH 5.5): 91.52
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 91.52
Polar Surface Area: 164 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 410.4±5.0 cm3

Click to predict properties on the Chemicalize site


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