ChemSpider 2D Image | 4-{(S)-(2-Ammonio-1H-imidazol-4-yl)[(5S)-2-(4,5-dibromo-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazol-5-yl]methyl}-5-[(1E)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1H-imidazol-2-aminium | C22H22Br4N10O2

4-{(S)-(2-Ammonio-1H-imidazol-4-yl)[(5S)-2-(4,5-dibromo-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazol-5-yl]methyl}-5-[(1E)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1H-imidazol-2-aminium

  • Molecular FormulaC22H22Br4N10O2
  • Average mass778.091 Da
  • Monoisotopic mass773.864929 Da
  • ChemSpider ID29214003

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, 4,5-dibromo-N-[(2E)-3-[5-[(S)-[(5S)-2-(4,5-dibromo-1H-pyrrol-2-yl)-4,5-dihydro-5-oxazolyl](2,3-dihydro-2-imino-1H-imidazol-4-yl)methyl]-2,3-dihydro-2-imino-1H-imidazol-4-yl]- 2-propen-1-yl]-, conjugate diacid [ACD/Index Name]
4-{(S)-(2-Ammonio-1H-imidazol-4-yl)[(5S)-2-(4,5-dibrom-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazol-5-yl]methyl}-5-[(1E)-3-{[(4,5-dibrom-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1H-imidazol-2-aminium [German] [ACD/IUPAC Name]
4-{(S)-(2-Ammonio-1H-imidazol-4-yl)[(5S)-2-(4,5-dibromo-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazol-5-yl]methyl}-5-[(1E)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1H-imidazol-2-aminium [ACD/IUPAC Name]
4-{(S)-(2-Ammonio-1H-imidazol-4-yl)[(5S)-2-(4,5-dibromo-1H-pyrrol-2-yl)-4,5-dihydro-1,3-oxazol-5-yl]méthyl}-5-[(1E)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propén-1-yl]-1H-imidazol-2-aminium [French] [ACD/IUPAC Name]
nagelamide R

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: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 11.33
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 252.13
ACD/KOC (pH 7.4): 1684.36
Polar Surface Area: 182 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement