ChemSpider 2D Image | Methyl (2R,3aR,8aS)-2-(phenylselanyl)-8-(phenylsulfonyl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carboxylate | C24H22N2O4SSe

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

  • Molecular FormulaC24H22N2O4SSe
  • Average mass513.468 Da
  • Monoisotopic mass514.046570 Da
  • ChemSpider ID9573063

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3aR,8aS)-2-(Phénylsélanyl)-8-(phénylsulfonyl)-3,3a,8,8a-tétrahydropyrrolo[2,3-b]indole-1(2H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2R,3aR,8aS)-2-(phenylselanyl)-8-(phenylsulfonyl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3aR,8aS)-2-(phenylselanyl)-8-(phenylsulfonyl)-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-2-(phenylseleno)-8-(phenylsulfonyl)-, 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: 626.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.4±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: 3.77
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 519.00
ACD/KOC (pH 5.5): 3055.78
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 519.00
ACD/KOC (pH 7.4): 3055.78
Polar Surface Area: 75 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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