ChemSpider 2D Image | ajmalan-17,21-diol, (7alpha,20alpha,21beta)- | C20H26N2O2

ajmalan-17,21-diol, (7α,20α,21β)-

  • Molecular FormulaC20H26N2O2
  • Average mass326.433 Da
  • Monoisotopic mass326.199432 Da
  • ChemSpider ID24534224

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7α,17R,20α,21β)-Ajmalan-17,21-diol [ACD/IUPAC Name]
(7α,17R,20α,21β)-Ajmalan-17,21-diol [German] [ACD/IUPAC Name]
(7α,17R,20α,21β)-Ajmalan-17,21-diol [French] [ACD/IUPAC Name]
Ajmalan-17,21-diol, (7α,17R,20α,21β)- [ACD/Index Name]
ajmalan-17,21-diol, (7α,20α,21β)-
(5aR,6S,8R,9S,10R,11R,11aS,12aR,13R)-9-Ethyl-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol
(5aR,6S,8R,9S,10R,11S,11aS,12aS,13R)-9-ethyl-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol
AJMALINE [JAN] [JP15] [Wiki]
MFCD00135652 [MDL number]

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

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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