ChemSpider 2D Image | (20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-20-ium-4-yl)methyl 2-aminobenzoate | C32H47N2O8

(20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-20-ium-4-yl)methyl 2-aminobenzoate

  • Molecular FormulaC32H47N2O8
  • Average mass587.724 Da
  • Monoisotopic mass587.332703 Da
  • ChemSpider ID3027700

  • Charge - Charge

More details:

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

(20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-20-ium-4-yl)methyl 2-aminobenzoate [ACD/IUPAC Name]
(20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-20-ium-4-yl)methyl-2-aminobenzoat [German] [ACD/IUPAC Name]
2-Aminobenzoate de (20-éthyl-7,8-dihydroxy-1,6,14,16-tétraméthoxyaconitan-20-ium-4-yl)méthyle [French] [ACD/IUPAC Name]
Aconitan-20-ium, 4-[[(2-aminobenzoyl)oxy]methyl]-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxy- [ACD/Index Name]

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

Density:
Boiling Point: 686.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 368.8±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 32.74
ACD/KOC (pH 5.5): 303.79
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 101.92
ACD/KOC (pH 7.4): 945.65
Polar Surface Area: 134 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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