ChemSpider 2D Image | nagelamide A | C22H22Br4N10O2

nagelamide A

  • Molecular FormulaC22H22Br4N10O2
  • Average mass778.092 Da
  • Monoisotopic mass773.866028 Da
  • ChemSpider ID9586603

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[(2E)-3-[2-amino-5-[(1S)-1-(2-amino-1H-imidazol-5-yl)-3-[[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino]propyl]-1H-imidazol-4-yl]-2-propen-1-yl]-4,5-dibromo- [ACD/Index Name]
N-[(2E)-3-{2-Amino-5-[(1S)-1-(2-amino-1H-imidazol-5-yl)-3-{[(4,5-dibrom-1H-pyrrol-2-yl)carbonyl]amino}propyl]-1H-imidazol-4-yl}-2-propen-1-yl]-4,5-dibrom-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(2E)-3-{2-Amino-5-[(1S)-1-(2-amino-1H-imidazol-5-yl)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}propyl]-1H-imidazol-4-yl}-2-propen-1-yl]-4,5-dibromo-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-[(2E)-3-{2-Amino-5-[(1S)-1-(2-amino-1H-imidazol-5-yl)-3-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}propyl]-1H-imidazol-4-yl}-2-propén-1-yl]-4,5-dibromo-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
nagelamide A

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: 1.780
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 19.29
ACD/KOC (pH 7.4): 160.70
Polar Surface Area: 199 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 90.0±3.0 dyne/cm
Molar Volume: 382.1±3.0 cm3

Click to predict properties on the Chemicalize site


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