ChemSpider 2D Image | 5'-HYDROXYHYDRODOLASETRON GLUCURONIDE | C25H30N2O10

5'-HYDROXYHYDRODOLASETRON GLUCURONIDE

  • Molecular FormulaC25H30N2O10
  • Average mass518.513 Da
  • Monoisotopic mass518.190063 Da
  • ChemSpider ID52083708

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1R,3R,5S,7S)-5-{[(5-Hydroxy-1H-indol-3-yl)carbonyl]oxy}-8-azatricyclo[5.3.1.03,8]undec-10-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(1R,3R,5S,7S)-5-{[(5-Hydroxy-1H-indol-3-yl)carbonyl]oxy}-8-azatricyclo[5.3.1.03,8]undec-10-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
168560-00-7 [RN]
1H-Indole-3-carboxylic acid, 5-hydroxy-, (6R,9aS)-3-(β-D-glucopyranuronosyloxy)octahydro-2,6-methano-2H-quinolizin-8-yl ester [ACD/Index Name]
5'-HYDROXYHYDRODOLASETRON GLUCURONIDE
Acide β-D-glucopyranosiduronique de (1R,3R,5S,7S)-5-{[(5-hydroxy-1H-indol-3-yl)carbonyl]oxy}-8-azatricyclo[5.3.1.03,8]undéc-10-yle [French] [ACD/IUPAC Name]

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

6J0DQV3PAP [DBID]
UNII:6J0DQV3PAP [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 818.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.0±34.3 °C
Index of Refraction: 1.727
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 98.2±5.0 dyne/cm
Molar Volume: 315.7±5.0 cm3

Click to predict properties on the Chemicalize site


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