Mycophenolic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 421
Total Number of Articles : 684
PubChem 446541
Molecular Formula

C17H20O6

SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O

InChI

InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+

synonyms
  • mycophenolic acid
  • 24280-93-1
  • Mycophenolate
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Properties
Property Value
MW 320.3 g/mol
HBD 2
HBA 6
Rotatable Bond Count 6
Exact Mass 320.12598835 g/mol
Monoisotopic Mass 320.12598835 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 486
xlogp 3.2
Topological Polar Surface Area 93.1