ChemSpider 2D Image | 3-C-Formyl-2-(6-hydroxy-9H-purin-9-yl)-beta-D-ribo-hexos-2-ulofuranosyl | C12H12N4O7

3-C-Formyl-2-(6-hydroxy-9H-purin-9-yl)-β-D-ribo-hexos-2-ulofuranosyl

  • Molecular FormulaC12H12N4O7
  • Average mass324.246 Da
  • Monoisotopic mass324.070587 Da
  • ChemSpider ID65791707

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-C-Formyl-2-(6-hydroxy-9H-purin-9-yl)-β-D-ribo-hexos-2-ulofuranosyl [ACD/IUPAC Name]
3-C-Formyl-2-(6-hydroxy-9H-purin-9-yl)-β-D-ribo-hexos-2-ulofuranosyl [French] [ACD/IUPAC Name]
β-D-ribo-Hexos-2-ulofuranosyl, 3-C-formyl-2-(6-hydroxy-9H-purin-9-yl)- [ACD/Index Name]
inosine dialdehyde

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

Density: 2.0±0.1 g/cm3
Boiling Point: 730.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.8±35.7 °C
Index of Refraction: 1.798
Molar Refractivity: 70.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 103.3±7.0 dyne/cm
Molar Volume: 166.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement