ChemSpider 2D Image | 2-[(Z)-{2,2'-Diamino-4',5-bis[(1E)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1',4'-dihydro-3H,5'H-4,4'-biimidazol-5'-ylidene}ammonio]ethanesulfonate | C24H27Br2N11O5S

2-[(Z)-{2,2'-Diamino-4',5-bis[(1E)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1',4'-dihydro-3H,5'H-4,4'-biimidazol-5'-ylidene}ammonio]ethanesulfonate

  • Molecular FormulaC24H27Br2N11O5S
  • Average mass741.415 Da
  • Monoisotopic mass739.028381 Da
  • ChemSpider ID40256896

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-{2,2'-Diamino-4',5-bis[(1E)-3-{[(4-brom-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1',4'-dihydro-3H,5'H-4,4'-biimidazol-5'-yliden}ammonio]ethansulfonat [German] [ACD/IUPAC Name]
2-[(Z)-{2,2'-Diamino-4',5-bis[(1E)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1',4'-dihydro-3H,5'H-4,4'-biimidazol-5'-ylidene}ammonio]ethanesulfonate [ACD/IUPAC Name]
2-[(Z)-{2,2'-Diamino-4',5-bis[(1E)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propén-1-yl]-1',4'-dihydro-3H,5'H-4,4'-biimidazol-5'-ylidène}ammonio]éthanesulfonate [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[(5Z)-2,2'-diamino-4,4'-bis[(1E)-3-[[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino]-1-propen-1-yl][4,5'-bi-1H-imidazol]-5(4H)-ylidene]amino]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -3.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 274 Å2
Polarizability:
Surface Tension:
Molar Volume:

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