ChemSpider 2D Image | (1S,3R)-10-Hydroxy-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 1H-indole-3-carboxylate | C19H22N2O3

(1S,3R)-10-Hydroxy-8-azatricyclo[5.3.1.03,8]undec-5-yl 1H-indole-3-carboxylate

  • Molecular FormulaC19H22N2O3
  • Average mass326.390 Da
  • Monoisotopic mass326.163055 Da
  • ChemSpider ID32701704
  • defined stereocentres - 2 of 5 defined stereocentres


More details:






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

(1S,3R)-10-Hydroxy-8-azatricyclo[5.3.1.03,8]undec-5-yl 1H-indole-3-carboxylate [ACD/IUPAC Name]
(1S,3R)-10-Hydroxy-8-azatricyclo[5.3.1.03,8]undec-5-yl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
1H-Indole-3-carboxylate de (1S,3R)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undéc-5-yle [French] [ACD/IUPAC Name]
1H-Indole-3-carboxylic acid, (2S,6R)-octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester [ACD/Index Name]
127951-99-9 [RN]
Hydrodolasetron

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 534.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.2±30.1 °C
Index of Refraction: 1.686
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 17.65
Polar Surface Area: 66 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 237.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement