ChemSpider 2D Image | ({[(2S,4R)-4-(6-Amino-9H-purin-9-yl)tetrahydro-2-furanyl]oxy}methyl)phosphonic acid | C10H14N5O5P

({[(2S,4R)-4-(6-Amino-9H-purin-9-yl)tetrahydro-2-furanyl]oxy}methyl)phosphonic acid

  • Molecular FormulaC10H14N5O5P
  • Average mass315.222 Da
  • Monoisotopic mass315.073242 Da
  • ChemSpider ID23326177

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

({[(2S,4R)-4-(6-Amino-9H-purin-9-yl)tetrahydro-2-furanyl]oxy}methyl)phosphonic acid [ACD/IUPAC Name]
({[(2S,4R)-4-(6-Amino-9H-purin-9-yl)tetrahydro-2-furanyl]oxy}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[(2S,4R)-4-(6-amino-9H-purin-9-yl)tétrahydro-2-furanyl]oxy}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[(2S,4R)-4-(6-amino-9H-purin-9-yl)tetrahydro-2-furanyl]oxy]methyl]- [ACD/Index Name]
((2S,4R)-4-(6-amino-9H-purin-9-yl)-tetrahydrofuran-2-yloxy)methylphosphonic acid
({[(2S,4R)-4-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]oxy}methyl)phosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL270914/

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

Density: 2.0±0.1 g/cm3
Boiling Point: 692.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.8±34.3 °C
Index of Refraction: 1.832
Molar Refractivity: 68.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.73
ACD/LogD (pH 5.5): -5.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 111.7±7.0 dyne/cm
Molar Volume: 155.1±7.0 cm3

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