ChemSpider 2D Image | 1-{[(4S)-4-Bromotetrahydro-2H-pyran-3-yl]amino}-3-(2-nitro-1H-imidazol-1-yl)-2-propanol | C11H17BrN4O4

1-{[(4S)-4-Bromotetrahydro-2H-pyran-3-yl]amino}-3-(2-nitro-1H-imidazol-1-yl)-2-propanol

  • Molecular FormulaC11H17BrN4O4
  • Average mass349.181 Da
  • Monoisotopic mass348.043304 Da
  • ChemSpider ID23172414
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

1-{[(4S)-4-Bromotetrahydro-2H-pyran-3-yl]amino}-3-(2-nitro-1H-imidazol-1-yl)-2-propanol [ACD/IUPAC Name]
1-{[(4S)-4-Bromotétrahydro-2H-pyran-3-yl]amino}-3-(2-nitro-1H-imidazol-1-yl)-2-propanol [French] [ACD/IUPAC Name]
1-{[(4S)-4-bromotetrahydro-2H-pyran-3-yl]amino}-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol
1-{[(4S)-4-Bromtetrahydro-2H-pyran-3-yl]amino}-3-(2-nitro-1H-imidazol-1-yl)-2-propanol [German] [ACD/IUPAC Name]
1H-Imidazole-1-ethanol, α-[[[(4S)-4-bromotetrahydro-2H-pyran-3-yl]amino]methyl]-2-nitro- [ACD/Index Name]
1-(4-Bromo-tetrahydro-pyran-3-ylamino)-3-(2-nitro-imidazol-1-yl)-propan-2-ol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 591.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.2±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.60
Polar Surface Area: 105 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 194.6±7.0 cm3

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