Sitagliptin Phosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 444
Total Number of Articles : 1022
PubChem 6451150
Molecular Formula

C16H18F6N5O5P

SMILES

C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.OP(=O)(O)O

InChI

InChI=1S/C16H15F6N5O.H3O4P/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4)/t9-;/m1./s1

synonyms
  • Sitagliptin phosphate
  • 654671-78-0
  • Sitagliptin (phosphate)
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Properties
Property Value
MW 505.31 g/mol
HBD 4
HBA 14
Rotatable Bond Count 4
Exact Mass 505.09497466 g/mol
Monoisotopic Mass 505.09497466 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 2
Complexity 616
xlogp None
Topological Polar Surface Area 155