ChemSpider 2D Image | (2S)-3-(2-Nitro-1H-imidazol-1-yl)-1,2-propanediol | C6H9N3O4

(2S)-3-(2-Nitro-1H-imidazol-1-yl)-1,2-propanediol

  • Molecular FormulaC6H9N3O4
  • Average mass187.153 Da
  • Monoisotopic mass187.059311 Da
  • ChemSpider ID32786818

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(2-Nitro-1H-imidazol-1-yl)-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-(2-Nitro-1H-imidazol-1-yl)-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-(2-Nitro-1H-imidazol-1-yl)-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-(2-nitro-1H-imidazol-1-yl)-, (2S)- [ACD/Index Name]
13551-92-3 [RN]
236-932-1 [EINECS]
Desmethylmisonidazole
UNII-H3N358OVQW

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

Density: 1.6±0.1 g/cm3
Boiling Point: 521.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.2±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 42.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.46
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.46
Polar Surface Area: 104 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 75.3±7.0 dyne/cm
Molar Volume: 116.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement