ChemSpider 2D Image | [(4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-4,5-dihydro-2-furanyl]methyl trihydrogen diphosphate | C10H14N5O13P3

[(4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-4,5-dihydro-2-furanyl]methyl trihydrogen diphosphate

  • Molecular FormulaC10H14N5O13P3
  • Average mass505.165 Da
  • Monoisotopic mass504.980103 Da
  • ChemSpider ID61713871

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-4,5-dihydro-2-furanyl]methyl trihydrogen diphosphate [ACD/IUPAC Name]
[(4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-4,5-dihydro-2-furanyl]methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[[(4R,5R)-5-(6-amino-9H-purin-9-yl)-4,5-dihydro-4-hydroxy-3-(phosphonooxy)-2-furanyl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de [(4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)-4,5-dihydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
Acetyl coenzyme A
ACO

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

Density: 2.6±0.1 g/cm3
Boiling Point: 963.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.1±3.0 kJ/mol
Flash Point: 536.8±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: -3.74
ACD/LogD (pH 5.5): -10.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.75
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

Click to predict properties on the Chemicalize site


Advertisement