ChemSpider 2D Image | 2-(7-Carboxylato-1-heptyn-1-yl)-9-pentofuranosyl-9H-purin-6-amine | C18H22N5O6

2-(7-Carboxylato-1-heptyn-1-yl)-9-pentofuranosyl-9H-purin-6-amine

  • Molecular FormulaC18H22N5O6
  • Average mass404.398 Da
  • Monoisotopic mass404.157562 Da
  • ChemSpider ID21210243

  • Charge - Charge

More details:

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

2-(7-Carboxylato-1-heptin-1-yl)-9-pentofuranosyl-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-(7-Carboxylato-1-heptyn-1-yl)-9-pentofuranosyl-9H-purin-6-amine [ACD/IUPAC Name]
2-(7-Carboxylato-1-heptyn-1-yl)-9-pentofuranosyl-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-(7-carboxy-1-heptyn-1-yl)-9-pentofuranosyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 823.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.98
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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