ChemSpider 2D Image | Bis{[(2r,3s,5r)-5-(6-Amino-9h-Purin-9-Yl)-3-Hydroxytetrahydrofuran-2-Yl]methyl} Hydrogen Phosphate | C20H25N10O8P

Bis{[(2r,3s,5r)-5-(6-Amino-9h-Purin-9-Yl)-3-Hydroxytetrahydrofuran-2-Yl]methyl} Hydrogen Phosphate

  • Molecular FormulaC20H25N10O8P
  • Average mass564.448 Da
  • Monoisotopic mass564.159424 Da
  • ChemSpider ID59051793

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl} hydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
Bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl}hydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Bis{[(2r,3s,5r)-5-(6-Amino-9h-Purin-9-Yl)-3-Hydroxytetrahydrofuran-2-Yl]methyl} Hydrogen Phosphate
Hydrogénophosphate de bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytétrahydro-2-furanyl]méthyle} (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 999.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.8±3.0 kJ/mol
Flash Point: 558.5±37.1 °C
Index of Refraction: 1.938
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -5.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 264 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 122.4±7.0 dyne/cm
Molar Volume: 261.7±7.0 cm3

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