ChemSpider 2D Image | 9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-(2-nitrobenzyl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one | C17H20N5O15P3

9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-(2-nitrobenzyl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC17H20N5O15P3
  • Average mass627.286 Da
  • Monoisotopic mass627.016846 Da
  • ChemSpider ID82966397

More details:

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

6H-Purin-6-one, 9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-3-O-[(2-nitrophenyl)methyl]pentofuranosyl]-1,9-dihydro- [ACD/Index Name]
9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-(2-nitrobenzyl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-(2-nitrobenzyl)pentofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-(2-nitrobenzyl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.785
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.44
ACD/LogD (pH 5.5): -10.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 128.1±7.0 dyne/cm
Molar Volume: 293.8±7.0 cm3

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