ChemSpider 2D Image | (2S,4S,5S)-2-[5,6-dichloro-2-(isopropylamino)benzimidazol-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | C15H19Cl2N3O4

(2S,4S,5S)-2-[5,6-dichloro-2-(isopropylamino)benzimidazol-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

  • Molecular FormulaC15H19Cl2N3O4
  • Average mass376.235 Da
  • Monoisotopic mass375.075256 Da
  • ChemSpider ID98612117

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

5,6-Dichlor-N-isopropyl-1-[(2ξ)-β-L-threo-pentofuranosyl]-1H-benzimidazol-2-amin [German] [ACD/IUPAC Name]
5,6-Dichloro-N-isopropyl-1-[(2ξ)-β-L-thréo-pentofuranosyl]-1H-benzimidazol-2-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 611.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.3±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.73
ACD/KOC (pH 5.5): 342.42
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.61
ACD/KOC (pH 7.4): 354.54
Polar Surface Area: 100 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 224.0±7.0 cm3

Click to predict properties on the Chemicalize site


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