ChemSpider 2D Image | vindolinine | C21H24N2O2

vindolinine

  • Molecular FormulaC21H24N2O2
  • Average mass336.427 Da
  • Monoisotopic mass336.183777 Da
  • ChemSpider ID25035023

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3α,5α,12β,20R)-6,7-Didéhydro-2,20-cycloaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,20-Cycloaspidospermidine-3-carboxylic acid, 6,7-didehydro-, methyl ester, (3α,5α,12β,20R)- [ACD/Index Name]
5980-02-9 [RN]
Methyl (3α,5α,12β,20R)-6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(3α,5α,12β,20R)-6,7-didehydro-2,20-cycloaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]
vindolinine
(-)-vindolinine
methyl (1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate
Vindolinin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.7±28.7 °C
Index of Refraction: 1.672
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.39
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 24.09
ACD/KOC (pH 7.4): 252.28
Polar Surface Area: 42 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 254.5±5.0 cm3

Click to predict properties on the Chemicalize site


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