ChemSpider 2D Image | Hymenialdisine | C11H10BrN5O2

Hymenialdisine

  • Molecular FormulaC11H10BrN5O2
  • Average mass324.133 Da
  • Monoisotopic mass323.001770 Da
  • ChemSpider ID25057907
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aR,4S)-4-(2-Amino-4-oxo-4H-imidazol-5-yl)-2-brom-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-on [German] [ACD/IUPAC Name]
(3aR,4S)-4-(2-Amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-one [ACD/IUPAC Name]
(3aR,4S)-4-(2-Amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tétrahydropyrrolo[2,3-c]azépin-8(3aH)-one [French] [ACD/IUPAC Name]
Hymenialdisine
Pyrrolo[2,3-c]azepin-8(3aH)-one, 4-(2-amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydro-, (3aR,4S)- [ACD/Index Name]
5-[(3aR,4S)-2-bromo-8-oxo-3aH,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-yl]-2-amino-4H-imidazol-4-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.912
Molar Refractivity: 69.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.89
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.16
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.16
Polar Surface Area: 109 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 92.5±7.0 dyne/cm
Molar Volume: 147.0±7.0 cm3

Click to predict properties on the Chemicalize site






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