ChemSpider 2D Image | 4-[5-O-(8-Methyl-2-oxido-4H-1,3,2-benzodioxaphosphinin-2-yl)-beta-D-ribofuranosyl]-3-oxo-3,4-dihydro-2-pyrazinecarboxamide | C18H20N3O9P

4-[5-O-(8-Methyl-2-oxido-4H-1,3,2-benzodioxaphosphinin-2-yl)-β-D-ribofuranosyl]-3-oxo-3,4-dihydro-2-pyrazinecarboxamide

  • Molecular FormulaC18H20N3O9P
  • Average mass453.340 Da
  • Monoisotopic mass453.093719 Da
  • ChemSpider ID90632514

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, 3,4-dihydro-4-[5-O-(8-methyl-2-oxido-4H-1,3,2-benzodioxaphosphorin-2-yl)-β-D-ribofuranosyl]-3-oxo- [ACD/Index Name]
4-[5-O-(8-Methyl-2-oxido-4H-1,3,2-benzodioxaphosphinin-2-yl)-β-D-ribofuranosyl]-3-oxo-3,4-dihydro-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
4-[5-O-(8-Methyl-2-oxido-4H-1,3,2-benzodioxaphosphinin-2-yl)-β-D-ribofuranosyl]-3-oxo-3,4-dihydro-2-pyrazinecarboxamide [ACD/IUPAC Name]
4-[5-O-(8-Méthyl-2-oxydo-4H-1,3,2-benzodioxaphosphinin-2-yl)-β-D-ribofuranosyl]-3-oxo-3,4-dihydro-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 668.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.3±34.3 °C
Index of Refraction: 1.730
Molar Refractivity: 100.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.12
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.12
Polar Surface Area: 180 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 82.8±7.0 dyne/cm
Molar Volume: 252.3±7.0 cm3

Click to predict properties on the Chemicalize site


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