ChemSpider 2D Image | 2-(6-Deoxy-alpha-L-gulopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione | C9H13N3O6

2-(6-Deoxy-α-L-gulopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione

  • Molecular FormulaC9H13N3O6
  • Average mass259.216 Da
  • Monoisotopic mass259.080444 Da
  • ChemSpider ID62480208

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,2,4-Triazine-3,5(2H,4H)-dione, 2-(6-deoxy-α-L-gulopyranosyl)- [ACD/Index Name]
2-(6-Deoxy-α-L-gulopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione [ACD/IUPAC Name]
2-(6-Desoxy-α-L-gulopyranosyl)-1,2,4-triazin-3,5(2H,4H)-dion [German] [ACD/IUPAC Name]
2-(6-Désoxy-α-L-gulopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.756
Molar Refractivity: 54.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.49
Polar Surface Area: 132 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 87.3±7.0 dyne/cm
Molar Volume: 132.8±7.0 cm3

Click to predict properties on the Chemicalize site


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