ChemSpider 2D Image | 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-(2,4,6-trinitrophenyl)-beta-D-xylofuranosyl]-9H-purin-6-amine | C16H17N8O19P3

9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-(2,4,6-trinitrophenyl)-β-D-xylofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC16H17N8O19P3
  • Average mass718.270 Da
  • Monoisotopic mass717.982300 Da
  • ChemSpider ID57491785

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-(2,4,6-trinitrophenyl)-β-D-xylofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-(2,4,6-trinitrophenyl)-β-D-xylofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-(2,4,6-trinitrophényl)-β-D-xylofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-2-O-(2,4,6-trinitrophenyl)-β-D-xylofuranosyl]- [ACD/Index Name]
220790-08-9 [RN]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1098.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.0±3.0 kJ/mol
Flash Point: 618.0±37.1 °C
Index of Refraction: 1.899
Molar Refractivity: 132.4±0.5 cm3
#H bond acceptors: 27
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.02
ACD/LogD (pH 5.5): -10.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 435 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 183.2±7.0 dyne/cm
Molar Volume: 284.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement