ChemSpider 2D Image | dibromosceptrin acetate | C22H22Br4N10O2

dibromosceptrin acetate

  • Molecular FormulaC22H22Br4N10O2
  • Average mass778.092 Da
  • Monoisotopic mass773.866028 Da
  • ChemSpider ID27026254

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N,N'-[[(1R,2R,3S,4S)-3,4-bis(2-amino-1H-imidazol-5-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4,5-dibromo- [ACD/Index Name]
dibromosceptrin acetate
N,N'-{[(1R,2R,3S,4S)-3-(2-Amino-1H-imidazol-4-yl)-4-(2-amino-1H-imidazol-5-yl)-1,2-cyclobutandiyl]dimethylen}bis(4,5-dibrom-1H-pyrrol-2-carboxamid) [German] [ACD/IUPAC Name]
N,N'-{[(1R,2R,3S,4S)-3-(2-Amino-1H-imidazol-4-yl)-4-(2-amino-1H-imidazol-5-yl)-1,2-cyclobutanediyl]bis(methylene)}bis(4,5-dibromo-1H-pyrrole-2-carboxamide) [ACD/IUPAC Name]
N,N'-{[(1R,2R,3S,4S)-3-(2-Amino-1H-imidazol-4-yl)-4-(2-amino-1H-imidazol-5-yl)-1,2-cyclobutanediyl]diméthylène}bis(4,5-dibromo-1H-pyrrole-2-carboxamide) [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 156.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 199 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 90.8±3.0 dyne/cm
Molar Volume: 380.0±3.0 cm3

Click to predict properties on the Chemicalize site


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