ChemSpider 2D Image | Triphosphoric acid, mono[2-[[2-(6-amino-9H-purin-9-yl)acetyl]methylamino]ethyl] ester | C10H17N6O11P3

Triphosphoric acid, mono[2-[[2-(6-amino-9H-purin-9-yl)acetyl]methylamino]ethyl] ester

  • Molecular FormulaC10H17N6O11P3
  • Average mass490.197 Da
  • Monoisotopic mass490.016815 Da
  • ChemSpider ID23188631

More details:

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

Triphosphoric acid, mono[2-[[2-(6-amino-9H-purin-9-yl)acetyl]methylamino]ethyl] ester [ACD/Index Name]
({[({2-[2-(6-amino-9H-purin-9-yl)-N-methylacetamido]ethoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL322860/
Nucleoside triphosphate anaogue

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

Density: 2.2±0.1 g/cm3
Boiling Point: 855.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 471.0±37.1 °C
Index of Refraction: 1.765
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -5.11
ACD/LogD (pH 5.5): -10.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 137.5±7.0 dyne/cm
Molar Volume: 227.1±7.0 cm3

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