ChemSpider 2D Image | 6'-HYDROXYHYDRODOLASETRON | C19H22N2O4

6'-HYDROXYHYDRODOLASETRON

  • Molecular FormulaC19H22N2O4
  • Average mass342.389 Da
  • Monoisotopic mass342.157959 Da
  • ChemSpider ID52084271

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1s,3R,5r,7S)-10-Hydroxy-8-azatricyclo[5.3.1.03,8]undec-5-yl 6-hydroxy-1H-indole-3-carboxylate [ACD/IUPAC Name]
(1s,3R,5r,7S)-10-Hydroxy-8-azatricyclo[5.3.1.03,8]undec-5-yl-6-hydroxy-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
160433-44-3 [RN]
1H-Indole-3-carboxylic acid, 6-hydroxy-, (6R,9aS)-octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester [ACD/Index Name]
6-Hydroxy-1H-indole-3-carboxylate de (1s,3R,5r,7S)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undéc-5-yle [French] [ACD/IUPAC Name]
6'-HYDROXYHYDRODOLASETRON

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

7190XY19BX [DBID]
UNII:7190XY19BX [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 587.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.2±30.1 °C
Index of Refraction: 1.713
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.62
Polar Surface Area: 86 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 234.1±5.0 cm3

Click to predict properties on the Chemicalize site


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