ChemSpider 2D Image | Methyl (2R,3aR,8aS)-8-[(4-methylphenyl)sulfonyl]-2-(phenylselanyl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carboxylate | C25H24N2O4SSe

Methyl (2R,3aR,8aS)-8-[(4-methylphenyl)sulfonyl]-2-(phenylselanyl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carboxylate

  • Molecular FormulaC25H24N2O4SSe
  • Average mass527.494 Da
  • Monoisotopic mass528.062195 Da
  • ChemSpider ID9378376

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3aR,8aS)-8-[(4-Méthylphényl)sulfonyl]-2-(phénylsélanyl)-3,3a,8,8a-tétrahydropyrrolo[2,3-b]indole-1(2H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2R,3aR,8aS)-8-[(4-methylphenyl)sulfonyl]-2-(phenylselanyl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3aR,8aS)-8-[(4-methylphenyl)sulfonyl]-2-(phenylselanyl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[2,3-b]indole-1(2H)-carboxylic acid, 3,3a,8,8a-tetrahydro-8-[(4-methylphenyl)sulfonyl]-2-(phenylseleno)-, methyl ester, (2R,3aR,8aS)- [ACD/Index Name]

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

Density:
Boiling Point: 632.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 987.81
ACD/KOC (pH 5.5): 4843.81
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 987.81
ACD/KOC (pH 7.4): 4843.81
Polar Surface Area: 75 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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