bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 60871
Molecular Formula

C20H32N5O8P

SMILES

CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)

synonyms
  • ADEFOVIR DIPIVOXIL
  • 142340-99-6
  • Hepsera
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Properties
Property Value
MW 501.5 g/mol
HBD 1
HBA 12
Rotatable Bond Count 15
Exact Mass 501.19884999 g/mol
Monoisotopic Mass 501.19884999 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 705
xlogp 1.8
Topological Polar Surface Area 167