ChemSpider 2D Image | Ethyl 6-bromo-4-{[dimethyl(~15~N)amino](~13~C)methyl}-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate | C2113CH25BrN15NO3S

Ethyl 6-bromo-4-{[dimethyl(15N)amino](13C)methyl}-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

  • Molecular FormulaC2113CH25BrN15NO3S
  • Average mass479.401 Da
  • Monoisotopic mass478.077301 Da
  • ChemSpider ID34426725

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino-15N)methyl-13C]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester [ACD/Index Name]
6-Bromo-4-{[diméthyl(15N)amino](13C)méthyl}-5-hydroxy-1-méthyl-2-[(phénylsulfanyl)méthyl]-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-bromo-4-{[dimethyl(15N)amino](13C)methyl}-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-brom-4-{[dimethyl(15N)amino](13C)methyl}-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indol-3-carboxylat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 121.9±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 347.3±7.0 cm3

Click to predict properties on the Chemicalize site


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