ChemSpider 2D Image | N-[5-({5-[(3-Aminopropyl)carbamoyl]-1-methyl-1H-pyrrol-2-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-[(bromoacetyl)amino]-1-methyl-1H-pyrrole-2-carboxamide | C23H29BrN8O4

N-[5-({5-[(3-Aminopropyl)carbamoyl]-1-methyl-1H-pyrrol-2-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-[(bromoacetyl)amino]-1-methyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC23H29BrN8O4
  • Average mass561.432 Da
  • Monoisotopic mass560.149536 Da
  • ChemSpider ID112984

More details:

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

1H-Pyrrole-2-carboxamide, N-[5-[[(3-aminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-2-yl]-4-[[[4-[(2-bromoacetyl)amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl- [ACD/Index Name]
N-[5-({5-[(3-Aminopropyl)carbamoyl]-1-méthyl-1H-pyrrol-2-yl}carbamoyl)-1-méthyl-1H-pyrrol-3-yl]-4-[(2-bromoacétyl)amino]-1-méthyl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
N-[5-({5-[(3-Aminopropyl)carbamoyl]-1-methyl-1H-pyrrol-2-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-[(bromacetyl)amino]-1-methyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-[5-({5-[(3-Aminopropyl)carbamoyl]-1-methyl-1H-pyrrol-2-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-[(bromoacetyl)amino]-1-methyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
99328-13-9 [RN]
99340-07-5 [RN]
Kadsurin A
M-bromoacetyldistamycin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.6±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 363.9±7.0 cm3

Click to predict properties on the Chemicalize site


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