ChemSpider 2D Image | (16xi,17R,21alpha)-Ajmalan-17,21-diol | C20H26N2O2

(16ξ,17R,21α)-Ajmalan-17,21-diol

  • Molecular FormulaC20H26N2O2
  • Average mass326.433 Da
  • Monoisotopic mass326.199432 Da
  • ChemSpider ID21474952

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(16ξ,17R,21α)-Ajmalan-17,21-diol [ACD/IUPAC Name]
(16ξ,17R,21α)-Ajmalan-17,21-diol [German] [ACD/IUPAC Name]
(16ξ,17R,21α)-Ajmalan-17,21-diol [French] [ACD/IUPAC Name]
Ajmalan-17,21-diol, (16ξ,17R,21α)- [ACD/Index Name]
(+)-Ajmaline
(10S,13S,16S,1R,9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0<1,9 >.0<2,7>.0<10,15>.0<12,17>]nonadeca-2,4,6-triene-14,18-diol
(10S,13S,16S,1R,9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0<1,9>.0<2,7>.0<10,15>.0<12,17>]nonadeca-2,4,6-triene-14,18-diol
07/12/4360
4360-12-7 [RN]
AJMALINE [JAN] [JP15] [Wiki]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 519.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 285.2±28.8 °C
Index of Refraction: 1.701
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 34.26
Polar Surface Area: 47 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 237.8±5.0 cm3

Click to predict properties on the Chemicalize site


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