ChemSpider 2D Image | 3-(2,6-Dihydroxy-9H-purin-8-yl)-2-propynoic acid | C8H4N4O4

3-(2,6-Dihydroxy-9H-purin-8-yl)-2-propynoic acid

  • Molecular FormulaC8H4N4O4
  • Average mass220.142 Da
  • Monoisotopic mass220.023254 Da
  • ChemSpider ID93777269

More details:

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

2-Propynoic acid, 3-(2,6-dihydroxy-9H-purin-8-yl)- [ACD/Index Name]
3-(2,6-Dihydroxy-9H-purin-8-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(2,6-Dihydroxy-9H-purin-8-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(2,6-dihydroxy-9H-purin-8-yl)-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 806.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 441.5±37.1 °C
Index of Refraction: 1.899
Molar Refractivity: 48.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 236.0±5.0 dyne/cm
Molar Volume: 103.8±5.0 cm3

Click to predict properties on the Chemicalize site


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