ChemSpider 2D Image | 3-(2,6-Disulfanyl-9H-purin-8-yl)-2-propynoic acid | C8H4N4O2S2

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

  • Molecular FormulaC8H4N4O2S2
  • Average mass252.273 Da
  • Monoisotopic mass251.977570 Da
  • ChemSpider ID88507278

More details:

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

2-Propynoic acid, 3-(2,6-dimercapto-9H-purin-8-yl)- [ACD/Index Name]
3-(2,6-Disulfanyl-9H-purin-8-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(2,6-Disulfanyl-9H-purin-8-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(2,6-disulfanyl-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: 1.8±0.1 g/cm3
Boiling Point: 655.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.3±34.3 °C
Index of Refraction: 1.841
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 147.5±5.0 dyne/cm
Molar Volume: 137.3±5.0 cm3

Click to predict properties on the Chemicalize site


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