ChemSpider 2D Image | 5-Acetoxy-2-(2,3-di-O-acetyl-beta-D-ribofuranosyl)-1,2,4-triazin-3(2H)-one | C14H17N3O9

5-Acetoxy-2-(2,3-di-O-acetyl-β-D-ribofuranosyl)-1,2,4-triazin-3(2H)-one

  • Molecular FormulaC14H17N3O9
  • Average mass371.299 Da
  • Monoisotopic mass371.096466 Da
  • ChemSpider ID21468722

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,2,4-Triazin-3(2H)-one, 5-(acetyloxy)-2-(2,3-di-O-acetyl-β-D-ribofuranosyl)- [ACD/Index Name]
5-Acetoxy-2-(2,3-di-O-acetyl-β-D-ribofuranosyl)-1,2,4-triazin-3(2H)-on [German] [ACD/IUPAC Name]
5-Acetoxy-2-(2,3-di-O-acetyl-β-D-ribofuranosyl)-1,2,4-triazin-3(2H)-one [ACD/IUPAC Name]
5-Acétoxy-2-(2,3-di-O-acétyl-β-D-ribofuranosyl)-1,2,4-triazin-3(2H)-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 494.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.8±6.0 kJ/mol
Flash Point: 253.1±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 81.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.49
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.49
Polar Surface Area: 153 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 230.9±7.0 cm3

Click to predict properties on the Chemicalize site


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