ChemSpider 2D Image | Triphosphoric acid, mono[[(4R,5R)-5-(6-amino-9H-purin-9-yl)-4,5-dihydro-3,4-dihydroxy-2-furanyl]methyl] ester | C10H14N5O13P3

Triphosphoric acid, mono[[(4R,5R)-5-(6-amino-9H-purin-9-yl)-4,5-dihydro-3,4-dihydroxy-2-furanyl]methyl] ester

  • Molecular FormulaC10H14N5O13P3
  • Average mass505.165 Da
  • Monoisotopic mass504.980103 Da
  • ChemSpider ID392995

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Triphosphoric acid, mono[[(4R,5R)-5-(6-amino-9H-purin-9-yl)-4,5-dihydro-3,4-dihydroxy-2-furanyl]methyl] ester [ACD/Index Name]
Adenosine-5'-triphosphate
ATP

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

Density: 2.6±0.1 g/cm3
Boiling Point: 944.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 524.8±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.56
ACD/LogD (pH 5.5): -10.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 197.4±7.0 dyne/cm
Molar Volume: 192.4±7.0 cm3

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