ChemSpider 2D Image | allosamizoline | C9H16N2O4

allosamizoline

  • Molecular FormulaC9H16N2O4
  • Average mass216.234 Da
  • Monoisotopic mass216.111008 Da
  • ChemSpider ID26330280

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,4R,5S,6S,6aS)-2-(Dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-4,5-diol [German] [ACD/IUPAC Name]
(3aR,4R,5S,6S,6aS)-2-(Dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol [ACD/IUPAC Name]
(3aR,4R,5S,6S,6aS)-2-(Diméthylamino)-6-(hydroxyméthyl)-4,5,6,6a-tétrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol [French] [ACD/IUPAC Name]
4H-Cyclopent[d]oxazole-4,5-diol, 2-(dimethylamino)-3a,5,6,6a-tetrahydro-6-(hydroxymethyl)-, (3aR,4R,5S,6S,6aS)- [ACD/Index Name]
allosamizoline
(3aR,4R,5S,6S,6aS)-2-(dimethylamino)-6-(hydroxymethyl)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,3]oxazole-4,5-diol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 363.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.5±6.0 kJ/mol
Flash Point: 173.5±30.7 °C
Index of Refraction: 1.670
Molar Refractivity: 49.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.70
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.74
Polar Surface Area: 86 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 132.6±7.0 cm3

Click to predict properties on the Chemicalize site


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