ChemSpider 2D Image | pibrozelesin | C32H36BrN5O8

pibrozelesin

  • Molecular FormulaC32H36BrN5O8
  • Average mass698.561 Da
  • Monoisotopic mass697.174744 Da
  • ChemSpider ID117356

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8S)-8-(Bromométhyl)-2-méthyl-4-{[(4-méthyl-1-pipérazinyl)carbonyl]oxy}-6-[(5,6,7-triméthoxy-1H-indol-2-yl)carbonyl]-3,6,7,8-tétrahydropyrrolo[3,2-e]indole-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 8-(bromomethyl)-3,6,7,8-tetrahydro-2-methyl-4-(((4-methyl-1-piperazinyl)carbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (S)-
IHK933KCIC
Methyl (8S)-8-(bromomethyl)-2-methyl-4-{[(4-methyl-1-piperazinyl)carbonyl]oxy}-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate [ACD/IUPAC Name]
methyl (8S)-8-(bromomethyl)-2-methyl-4-{[(4-methylpiperazin-1-yl)carbonyl]oxy}-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
Methyl-(8S)-8-(brommethyl)-2-methyl-4-{[(4-methyl-1-piperazinyl)carbonyl]oxy}-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-1-carboxylat [German] [ACD/IUPAC Name]
pibrozelesin [INN]
pibrozelesina [Spanish] [INN]
pibrozélésine [French] [INN]
pibrozelesinum [Latin] [INN]
More...

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

7890 [DBID]
KW 2189 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 829.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 455.7±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 7.76
ACD/KOC (pH 5.5): 62.68
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 134.52
ACD/KOC (pH 7.4): 1086.47
Polar Surface Area: 139 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 474.2±3.0 cm3

Click to predict properties on the Chemicalize site


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