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Search term: c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)O)O)O)F (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-Amino-7-(4-fluorobenzyl)-6-oxo-9-(5-O-phosphonopentofuranosyl)-6,9-dihydro-1H-purin-7-ium | C17H20FN5O8P

2-Amino-7-(4-fluorobenzyl)-6-oxo-9-(5-O-phosphonopentofuranosyl)-6,9-dihydro-1H-purin-7-ium

  • Molecular FormulaC17H20FN5O8P
  • Average mass472.341 Da
  • Monoisotopic mass472.102814 Da
  • ChemSpider ID22377650

  • Charge - Charge

More details:

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

1H-Purinium, 2-amino-7-[(4-fluorophenyl)methyl]-6,9-dihydro-6-oxo-9-(5-O-phosphonopentofuranosyl)- [ACD/Index Name]
2-Amino-7-(4-fluorbenzyl)-6-oxo-9-(5-O-phosphonopentofuranosyl)-6,9-dihydro-1H-purin-7-ium [German] [ACD/IUPAC Name]
2-Amino-7-(4-fluorobenzyl)-6-oxo-9-(5-O-phosphonopentofuranosyl)-6,9-dihydro-1H-purin-7-ium [ACD/IUPAC Name]
2-Amino-7-(4-fluorobenzyl)-6-oxo-9-(5-O-phosphonopentofuranosyl)-6,9-dihydro-1H-purin-7-ium [French] [ACD/IUPAC 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: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 203 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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