ChemSpider 2D Image | Methyl (2R,8S)-8-chloro-4-hydroxy-7-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-2,3,6,7,8,9-hexahydro-1H-pyrrolo[3,2-f]quinoline-2-carboxylate | C26H26ClN3O8

Methyl (2R,8S)-8-chloro-4-hydroxy-7-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-2,3,6,7,8,9-hexahydro-1H-pyrrolo[3,2-f]quinoline-2-carboxylate

  • Molecular FormulaC26H26ClN3O8
  • Average mass543.953 Da
  • Monoisotopic mass543.140869 Da
  • ChemSpider ID118135

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,8S)-8-Chloro-4-hydroxy-7-méthyl-1-oxo-6-[(5,6,7-triméthoxy-1H-indol-2-yl)carbonyl]-2,3,6,7,8,9-hexahydro-1H-pyrrolo[3,2-f]quinoléine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,2-f]quinoline-2-carboxylic acid, 8-chloro-2,3,6,7,8,9-hexahydro-4-hydroxy-7-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, methyl ester, (2R,8S)- [ACD/Index Name]
Methyl (2R,8S)-8-chloro-4-hydroxy-7-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-2,3,6,7,8,9-hexahydro-1H-pyrrolo[3,2-f]quinoline-2-carboxylate [ACD/IUPAC Name]
Methyl-(2R,8S)-8-chlor-4-hydroxy-7-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-2,3,6,7,8,9-hexahydro-1H-pyrrolo[3,2-f]chinolin-2-carboxylat [German] [ACD/IUPAC Name]
113189-05-2 [RN]
118292-35-6 [RN]
1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 8-chloro-2,3,6,7,8,9-hexahydro-4-hydroxy-2-methyl-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
Antibiotic DC 89A1
DC 89-A1
DC89-A1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 5689373 [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: 810.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 444.0±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.67
ACD/KOC (pH 5.5): 561.45
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.73
ACD/KOC (pH 7.4): 550.58
Polar Surface Area: 139 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 356.6±5.0 cm3

Click to predict properties on the Chemicalize site


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