ChemSpider 2D Image | 4,5-Dibromo-N-{[1,8-diamino-6-({[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-4-chloro-3,6b-dihydroxy-5,6,6a,6b,7,9a-hexahydro-3H,4H-cyclopenta[2,3]imidazo[4',5':4,5]pyrrolo[1,2-c]imidazol-5-yl]meth yl}-1H-pyrrole-2-carboxamide | C22H24Br3ClN10O4

4,5-Dibromo-N-{[1,8-diamino-6-({[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-4-chloro-3,6b-dihydroxy-5,6,6a,6b,7,9a-hexahydro-3H,4H-cyclopenta[2,3]imidazo[4',5':4,5]pyrrolo[1,2-c]imidazol-5-yl]meth yl}-1H-pyrrole-2-carboxamide

  • Molecular FormulaC22H24Br3ClN10O4
  • Average mass767.656 Da
  • Monoisotopic mass763.922058 Da
  • ChemSpider ID24620402

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4,5-Dibrom-N-{[1,8-diamino-6-({[(4-brom-1H-pyrrol-2-yl)carbonyl]amino}methyl)-4-chlor-3,6b-dihydroxy-5,6,6a,6b,7,9a-hexahydro-3H,4H-cyclopenta[2,3]imidazo[4',5':4,5]pyrrolo[1,2-c]imidazol-5-yl]methyl} -1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4,5-Dibromo-N-{[1,8-diamino-6-({[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-4-chloro-3,6b-dihydroxy-5,6,6a,6b,7,9a-hexahydro-3H,4H-cyclopenta[2,3]imidazo[4',5':4,5]pyrrolo[1,2-c]imidazol-5-yl]meth yl}-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4,5-Dibromo-N-{[1,8-diamino-6-({[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}méthyl)-4-chloro-3,6b-dihydroxy-5,6,6a,6b,7,9a-hexahydro-3H,4H-cyclopenta[2,3]imidazo[4',5':4,5]pyrrolo[1,2-c]imidazol-5-yl]méth yl}-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.000
Molar Refractivity: 149.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 112.3±7.0 dyne/cm
Molar Volume: 299.1±7.0 cm3

Click to predict properties on the Chemicalize site


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