ChemSpider 2D Image | 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(4-nitrophenyl)tetrahydrofuran-3-ol | C16H16N6O5

5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(4-nitrophenyl)tetrahydrofuran-3-ol

  • Molecular FormulaC16H16N6O5
  • Average mass372.335 Da
  • Monoisotopic mass372.118225 Da
  • ChemSpider ID26514429

More details:

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

9-[2-Deoxy-2-(4-nitrophenyl)pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2-deoxy-2-(4-nitrophenyl)pentofuranosyl]- [ACD/Index 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: 747.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 406.1±35.7 °C
Index of Refraction: 1.833
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 45.51
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 47.22
Polar Surface Area: 165 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 90.4±7.0 dyne/cm
Molar Volume: 204.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement