ChemSpider 2D Image | 1-(5-Amino-7-oxo-1,7-dihydropyrazolo[3,4-e][1,3]oxazin-3-yl)-1,4-anhydropentitol | C10H12N4O6

1-(5-Amino-7-oxo-1,7-dihydropyrazolo[3,4-e][1,3]oxazin-3-yl)-1,4-anhydropentitol

  • Molecular FormulaC10H12N4O6
  • Average mass284.225 Da
  • Monoisotopic mass284.075684 Da
  • ChemSpider ID120331405

More details:

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

1-(5-Amino-7-oxo-1,7-dihydropyrazolo[3,4-e][1,3]oxazin-3-yl)-1,4-anhydropentitol [German] [ACD/IUPAC Name]
1-(5-Amino-7-oxo-1,7-dihydropyrazolo[3,4-e][1,3]oxazin-3-yl)-1,4-anhydropentitol [ACD/IUPAC Name]
1-(5-Amino-7-oxo-1,7-dihydropyrazolo[3,4-e][1,3]oxazin-3-yl)-1,4-anhydropentitol [French] [ACD/IUPAC Name]
Pentitol, 1-C-(5-amino-1,7-dihydro-7-oxopyrazolo[3,4-e][1,3]oxazin-3-yl)-1,4-anhydro- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 723.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.6±35.7 °C
Index of Refraction: 1.944
Molar Refractivity: 58.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -2.85
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 163 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 123.1±7.0 dyne/cm
Molar Volume: 121.1±7.0 cm3

Click to predict properties on the Chemicalize site


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