ChemSpider 2D Image | ent-Ageliferin | C22H24Br2N10O2

ent-Ageliferin

  • Molecular FormulaC22H24Br2N10O2
  • Average mass620.300 Da
  • Monoisotopic mass618.045044 Da
  • ChemSpider ID26233618

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N,N'-[[(4S,5S,6R)-4-(2,3-dihydro-2-imino-1H-imidazol-4-yl)-2,3,4,5,6,7-hexahydro-2-imino-1H-benzimidazole-5,6-diyl]bis(methylene)]bis[4-bromo- [ACD/Index Name]
ent-Ageliferin
N,N'-{[(4S,5S,6R)-2-Amino-4-(2-amino-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-5,6-diyl]dimethylen}bis(4-brom-1H-pyrrol-2-carboxamid) [German] [ACD/IUPAC Name]
N,N'-{[(4S,5S,6R)-2-Amino-4-(2-amino-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-5,6-diyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide) [ACD/IUPAC Name]
N,N'-{[(4S,5S,6R)-2-Amino-4-(2-amino-1H-imidazol-4-yl)-4,5,6,7-tétrahydro-1H-benzimidazole-5,6-diyl]diméthylène}bis(4-bromo-1H-pyrrole-2-carboxamide) [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.893
Molar Refractivity: 136.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 186 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 87.4±7.0 dyne/cm
Molar Volume: 294.6±7.0 cm3

Click to predict properties on the Chemicalize site


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