ChemSpider 2D Image | (14alpha,16beta,17S)-20-Ethyl-4-(hydroxymethyl)-1,16-dimethoxyaconitane-8,14-diol | C23H37NO5

(14α,16β,17S)-20-Ethyl-4-(hydroxymethyl)-1,16-dimethoxyaconitane-8,14-diol

  • Molecular FormulaC23H37NO5
  • Average mass407.544 Da
  • Monoisotopic mass407.267181 Da
  • ChemSpider ID78315882

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(14α,16β,17S)-20-Ethyl-4-(hydroxymethyl)-1,16-dimethoxyaconitan-8,14-diol [German] [ACD/IUPAC Name]
(14α,16β,17S)-20-Ethyl-4-(hydroxymethyl)-1,16-dimethoxyaconitane-8,14-diol [ACD/IUPAC Name]
(14α,16β,17S)-20-Éthyl-4-(hydroxyméthyl)-1,16-diméthoxyaconitane-8,14-diol [French] [ACD/IUPAC Name]
Aconitane-8,14-diol, 20-ethyl-4-(hydroxymethyl)-1,16-dimethoxy-, (14α,16β,17S)- [ACD/Index 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: 540.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 280.7±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.41
Polar Surface Area: 82 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 310.6±5.0 cm3

Click to predict properties on the Chemicalize site


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