ChemSpider 2D Image | 2-({2,2'-Diamino-4',5-bis[(1E)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-3H,4'H-4,4'-biimidazol-5'-yl}amino)ethanesulfonic acid | C24H25Br4N11O5S

2-({2,2'-Diamino-4',5-bis[(1E)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-3H,4'H-4,4'-biimidazol-5'-yl}amino)ethanesulfonic acid

  • Molecular FormulaC24H25Br4N11O5S
  • Average mass899.207 Da
  • Monoisotopic mass894.849426 Da
  • ChemSpider ID9438071

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({2,2'-Diamino-4',5-bis[(1E)-3-{[(4,5-dibrom-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-3H,4'H-4,4'-biimidazol-5'-yl}amino)ethansulfonsäure [German] [ACD/IUPAC Name]
2-({2,2'-Diamino-4',5-bis[(1E)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-3H,4'H-4,4'-biimidazol-5'-yl}amino)ethanesulfonic acid [ACD/IUPAC Name]
Acide 2-({2,2'-diamino-4',5-bis[(1E)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propén-1-yl]-3H,4'H-4,4'-biimidazol-5'-yl}amino)éthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[2-amino-4-[2-amino-4-[(1E)-3-[[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino]-1-propen-1-yl]-1H-imidazol-5-yl]-4-[(1E)-3-[[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino]-1-propen-1- yl]-4H-imidazol-5-yl]amino]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.820
Molar Refractivity: 177.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 86.1±7.0 dyne/cm
Molar Volume: 407.5±7.0 cm3

Click to predict properties on the Chemicalize site


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