Aminopterin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 56
Total Number of Articles : 86
PubChem 169371
Molecular Formula

C19H20N8O5

SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1

synonyms
  • aminopterin
  • 54-62-6
  • 4-Aminofolic acid
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Properties
Property Value
MW 440.4 g/mol
HBD 6
HBA 12
Rotatable Bond Count 9
Exact Mass 440.15566577 g/mol
Monoisotopic Mass 440.15566577 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 674
xlogp -2
Topological Polar Surface Area 219