ChemSpider 2D Image | Methyl (19E)-17-hydroxysarpagan-16-carboxylate | C21H24N2O3

Methyl (19E)-17-hydroxysarpagan-16-carboxylate

  • Molecular FormulaC21H24N2O3
  • Average mass352.427 Da
  • Monoisotopic mass352.178680 Da
  • ChemSpider ID115040653

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(19E)-17-Hydroxysarpagan-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (19E)-17-hydroxysarpagan-16-carboxylate [ACD/IUPAC Name]
Methyl-(19E)-17-hydroxysarpagan-16-carboxylat [German] [ACD/IUPAC Name]
Sarpagan-16-carboxylic acid, 17-hydroxy-, methyl ester [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: 513.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.0±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 26.26
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 64.40
ACD/KOC (pH 7.4): 620.89
Polar Surface Area: 66 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 261.5±5.0 cm3

Click to predict properties on the Chemicalize site


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