ChemSpider 2D Image | 6-Hydroxy-8-methyl-7-{[3-(3,4,5-trimethoxyphenyl)acryloyl]oxy}-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate | C30H37NO11

6-Hydroxy-8-methyl-7-{[3-(3,4,5-trimethoxyphenyl)acryloyl]oxy}-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC30H37NO11
  • Average mass587.615 Da
  • Monoisotopic mass587.236633 Da
  • ChemSpider ID346130

More details:

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

3,4,5-Triméthoxybenzoate de 6-hydroxy-8-méthyl-7-{[3-(3,4,5-triméthoxyphényl)acryloyl]oxy}-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
6-Hydroxy-8-methyl-7-{[3-(3,4,5-trimethoxyphenyl)acryloyl]oxy}-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
6-Hydroxy-8-methyl-7-{[3-(3,4,5-trimethoxyphenyl)acryloyl]oxy}-8-azabicyclo[3.2.1]oct-3-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 6-hydroxy-8-methyl-7-[[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]

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

NCI60_031734 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 2.86
ACD/KOC (pH 5.5): 29.91
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 52.88
ACD/KOC (pH 7.4): 553.71
Polar Surface Area: 131 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 443.8±5.0 cm3

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