ChemSpider 2D Image | 2-Methyl 1-(2-methyl-2-propanyl) (2S,3aR,8aS)-3a-[(2-iodophenyl)amino]-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1,2(2H)-dicarboxylate | C23H26IN3O4

2-Methyl 1-(2-methyl-2-propanyl) (2S,3aR,8aS)-3a-[(2-iodophenyl)amino]-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1,2(2H)-dicarboxylate

  • Molecular FormulaC23H26IN3O4
  • Average mass535.375 Da
  • Monoisotopic mass535.096802 Da
  • ChemSpider ID30660327

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3aR,8aS)-3a-[(2-Iodophényl)amino]-3,3a,8,8a-tétrahydropyrrolo[2,3-b]indole-1,2(2H)-dicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2-Methyl 1-(2-methyl-2-propanyl) (2S,3aR,8aS)-3a-[(2-iodophenyl)amino]-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1,2(2H)-dicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2S,3aR,8aS)-3a-[(2-iodphenyl)amino]-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1,2(2H)-dicarboxylat [German] [ACD/IUPAC Name]
Pyrrolo[2,3-b]indole-1,2(2H)-dicarboxylic acid, 3,3a,8,8a-tetrahydro-3a-[(2-iodophenyl)amino]-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,3aR,8aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 602.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 125.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1457.60
ACD/KOC (pH 5.5): 6398.47
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1458.22
ACD/KOC (pH 7.4): 6401.22
Polar Surface Area: 80 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

Click to predict properties on the Chemicalize site


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