ChemSpider 2D Image | 2-Amino-9-{5-O-[{[({[(4-azidophenyl)amino](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one | C16H20N9O13P3

2-Amino-9-{5-O-[{[({[(4-azidophenyl)amino](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC16H20N9O13P3
  • Average mass639.304 Da
  • Monoisotopic mass639.039368 Da
  • ChemSpider ID95639956

More details:

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

2-Amino-9-{5-O-[{[({[(4-azidophenyl)amino](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[{[({[(4-azidophenyl)amino](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[{[({[(4-azidophényl)amino](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[5-O-[[[[[[(4-azidophenyl)amino]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]-3,9-dihydro- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -8.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability:
Surface Tension:
Molar Volume:

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