ChemSpider 2D Image | 8-Ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,13,14-triol | C27H45NO8

8-Ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,13,14-triol

  • Molecular FormulaC27H45NO8
  • Average mass511.648 Da
  • Monoisotopic mass511.314514 Da
  • ChemSpider ID433685

More details:

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

8-Ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-3,13,14-triol [German] [ACD/IUPAC Name]
8-Ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,13,14-triol [ACD/IUPAC Name]
8-Éthoxy-20-éthyl-1,6,16-triméthoxy-4-(méthoxyméthyl)aconitane-3,13,14-triol [French] [ACD/IUPAC Name]
Aconitane-3,13,14-triol, 8-ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)- [ACD/Index Name]
8-O-Ethylaconine

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

AIDS140897 [DBID]
AIDS-140897 [DBID]
NSC654827 [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: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 46.01
Polar Surface Area: 110 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 394.0±5.0 cm3

Click to predict properties on the Chemicalize site


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