ChemSpider 2D Image | (R)-abunidazole | C15H19N3O4

(R)-abunidazole

  • Molecular FormulaC15H19N3O4
  • Average mass305.329 Da
  • Monoisotopic mass305.137543 Da
  • ChemSpider ID34986337

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-abunidazole
1H-Imidazole-2-methanol, α-[5-(1,1-dimethylethyl)-2-hydroxyphenyl]-1-methyl-5-nitro-, (αR)- [ACD/Index Name]
2-[(R)-Hydroxy(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]-4-(2-methyl-2-propanyl)phenol [German] [ACD/IUPAC Name]
2-[(R)-Hydroxy(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]-4-(2-methyl-2-propanyl)phenol [ACD/IUPAC Name]
2-[(R)-Hydroxy(1-méthyl-5-nitro-1H-imidazol-2-yl)méthyl]-4-(2-méthyl-2-propanyl)phénol [French] [ACD/IUPAC Name]
91017-58-2 [RN]
ABUNIDAZOLE [INN]
ABUNIDAZOLE, (R)-
UNII-6EH821150I

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

3O27Q19Q2S [DBID]
UNII:3O27Q19Q2S [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 274.0±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.74
ACD/KOC (pH 5.5): 375.49
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.58
ACD/KOC (pH 7.4): 373.24
Polar Surface Area: 104 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 234.4±7.0 cm3

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