ChemSpider 2D Image | Hydroxynitrodihydrothymine | C5H7N3O5

Hydroxynitrodihydrothymine

  • Molecular FormulaC5H7N3O5
  • Average mass189.126 Da
  • Monoisotopic mass189.038574 Da
  • ChemSpider ID20476553

More details:

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

2,4(1H,3H)-Pyrimidinedione, dihydro-3-hydroxy-5-methyl-1-nitro- [ACD/Index Name]
3-Hydroxy-5-methyl-1-nitrodihydro-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
3-Hydroxy-5-methyl-1-nitrodihydro-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
3-Hydroxy-5-méthyl-1-nitrodihydro-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
Hydroxynitrodihydrothymine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 364.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.7±6.0 kJ/mol
Flash Point: 174.1±23.2 °C
Index of Refraction: 1.614
Molar Refractivity: 38.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.18
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.45
Polar Surface Area: 107 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 85.2±5.0 dyne/cm
Molar Volume: 111.1±5.0 cm3

Click to predict properties on the Chemicalize site


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