ChemSpider 2D Image | Methyl (2S)-1-{[(2S,3aR,8aS)-3a-hydroxy-1-trityl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-2-yl]carbonyl}-2-pyrrolidinecarboxylate | C36H35N3O4

Methyl (2S)-1-{[(2S,3aR,8aS)-3a-hydroxy-1-trityl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-2-yl]carbonyl}-2-pyrrolidinecarboxylate

  • Molecular FormulaC36H35N3O4
  • Average mass573.681 Da
  • Monoisotopic mass573.262756 Da
  • ChemSpider ID9745285

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-1-{[(2S,3aR,8aS)-3a-Hydroxy-1-trityl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-2-yl]carbonyl}-2-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S)-1-{[(2S,3aR,8aS)-3a-hydroxy-1-trityl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-2-yl]carbonyl}-2-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(2S)-1-{[(2S,3aR,8aS)-3a-hydroxy-1-trityl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-2-yl]carbonyl}-2-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.6±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 162.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3210.50
ACD/KOC (pH 5.5): 11253.56
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3218.44
ACD/KOC (pH 7.4): 11281.40
Polar Surface Area: 82 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 441.6±3.0 cm3

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