ChemSpider 2D Image | Methyl (2R,8S)-8-(chloromethyl)-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate | C26H26ClN3O8

Methyl (2R,8S)-8-(chloromethyl)-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate

  • Molecular FormulaC26H26ClN3O8
  • Average mass543.953 Da
  • Monoisotopic mass543.140869 Da
  • ChemSpider ID129842

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,8S)-8-(Chlorométhyl)-4-hydroxy-2-méthyl-1-oxo-6-[(5,6,7-triméthoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
118292-36-7 [RN]
Methyl (2R,8S)-8-(chloromethyl)-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate [ACD/IUPAC Name]
Methyl-(2R,8S)-8-(chlormethyl)-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indol-2-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,2-e]indole-2-carboxylic acid, 8-(chloromethyl)-1,2,3,6,7,8-hexahydro-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, methyl ester, (2R,8S)- [ACD/Index Name]
(2R,8S)-8-Chloromethyl-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-pyrrolo[3,2-e]indole-2-carboxylic acid methyl ester
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 8-(chloromethyl)-1,2,3,6,7,8-hexahydro-4-hydroxy-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (2R-trans)-
Benzo[1,2-b:4,3-b']dipyrrole-2-carboxylicacid,8-(chloromethyl)-1,2,3,6,7,8-hexahydro-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-,methyl ester, (2R,8S)-
Benzo1,2-b:4,3-bdipyrrole-2-carboxylic acid, 8-(chloromethyl)-1,2,3,6,7,8-hexahydro-4-hydroxy-2-meth
methyl (2R,8S)-8-(chloromethyl)-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 4834144 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 767.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 417.7±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.49
ACD/KOC (pH 5.5): 483.40
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.45
ACD/KOC (pH 7.4): 470.72
Polar Surface Area: 139 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 379.6±3.0 cm3

Click to predict properties on the Chemicalize site


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