ChemSpider 2D Image | Methyl (3bR)-2-methyl-8-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,4,4a,5,6,8-hexahydrocyclopropa[c]pyrrolo[3,2-e]indole-3-carboxylate | C26H25N3O7

Methyl (3bR)-2-methyl-8-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,4,4a,5,6,8-hexahydrocyclopropa[c]pyrrolo[3,2-e]indole-3-carboxylate

  • Molecular FormulaC26H25N3O7
  • Average mass491.493 Da
  • Monoisotopic mass491.169250 Da
  • ChemSpider ID23234219

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3bR)-2-Méthyl-8-oxo-6-[(5,6,7-triméthoxy-1H-indol-2-yl)carbonyl]-1,4,4a,5,6,8-hexahydrocyclopropa[c]pyrrolo[3,2-e]indole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopropa[c]pyrrolo[3,2-e]indole-3-carboxylic acid, 1,4,4a,5,6,8-hexahydro-2-methyl-8-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, methyl ester, (3bR)- [ACD/Index Name]
Methyl (3bR)-2-methyl-8-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,4,4a,5,6,8-hexahydrocyclopropa[c]pyrrolo[3,2-e]indole-3-carboxylate [ACD/IUPAC Name]
Methyl-(3bR)-2-methyl-8-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,4,4a,5,6,8-hexahydrocyclopropa[c]pyrrolo[3,2-e]indol-3-carboxylat [German] [ACD/IUPAC Name]
methyl (1R)-4-methyl-7-oxo-10-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate
methyl 4-methyl-7-oxo-10-(5,6,7-trimethoxy-1H-2-indolylcarbonyl)-(1R,12S)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 815.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 447.0±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.13
ACD/KOC (pH 5.5): 195.32
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.13
ACD/KOC (pH 7.4): 195.32
Polar Surface Area: 123 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 326.9±5.0 cm3

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