ChemSpider 2D Image | nagelamide D | C22H24Br4N10O2

nagelamide D

  • Molecular FormulaC22H24Br4N10O2
  • Average mass780.108 Da
  • Monoisotopic mass775.881714 Da
  • ChemSpider ID10480161

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

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: 1.747
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.94
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): 1.95
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 59.80
Polar Surface Area: 199 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 390.4±3.0 cm3

Click to predict properties on the Chemicalize site


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