ChemSpider 2D Image | 2-Isopropyl-9-(5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine | C13H20N5O7P

2-Isopropyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC13H20N5O7P
  • Average mass389.301 Da
  • Monoisotopic mass389.110046 Da
  • ChemSpider ID57491760

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Isopropyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-Isopropyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
2-Isopropyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-(1-methylethyl)-9-(5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]
66454-80-6 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 638.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.2±34.3 °C
Index of Refraction: 1.794
Molar Refractivity: 83.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 97.6±7.0 dyne/cm
Molar Volume: 196.1±7.0 cm3

Click to predict properties on the Chemicalize site


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