ChemSpider 2D Image | Ethyl (3R,4S)-9-acetyl-3-{3-[(4-bromobenzyl)oxy]propyl}-6-methyl-2-oxo-2,3,4,9-tetrahydropyrano[2,3-b]indole-4-carboxylate | C27H28BrNO6

Ethyl (3R,4S)-9-acetyl-3-{3-[(4-bromobenzyl)oxy]propyl}-6-methyl-2-oxo-2,3,4,9-tetrahydropyrano[2,3-b]indole-4-carboxylate

  • Molecular FormulaC27H28BrNO6
  • Average mass542.418 Da
  • Monoisotopic mass541.109985 Da
  • ChemSpider ID30651919

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-9-Acétyl-3-{3-[(4-bromobenzyl)oxy]propyl}-6-méthyl-2-oxo-2,3,4,9-tétrahydropyrano[2,3-b]indole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3R,4S)-9-acetyl-3-{3-[(4-bromobenzyl)oxy]propyl}-6-methyl-2-oxo-2,3,4,9-tetrahydropyrano[2,3-b]indole-4-carboxylate [ACD/IUPAC Name]
Ethyl-(3R,4S)-9-acetyl-3-{3-[(4-brombenzyl)oxy]propyl}-6-methyl-2-oxo-2,3,4,9-tetrahydropyrano[2,3-b]indol-4-carboxylat [German] [ACD/IUPAC Name]
Pyrano[2,3-b]indole-4-carboxylic acid, 9-acetyl-3-[3-[(4-bromophenyl)methoxy]propyl]-2,3,4,9-tetrahydro-6-methyl-2-oxo-, ethyl ester, (3R,4S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4688.50
ACD/KOC (pH 5.5): 14767.91
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4688.50
ACD/KOC (pH 7.4): 14767.91
Polar Surface Area: 84 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 384.7±7.0 cm3

Click to predict properties on the Chemicalize site


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