coproporphyrin I

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 12
Total Number of Articles : 20
PubChem 68271
Molecular Formula

C36H38N4O8

SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37-38H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)

synonyms
  • Coproporphyrin I
  • 531-14-6
  • 3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic acid
Click to show/hide the synonyms
Properties
Property Value
MW 654.7 g/mol
HBD 6
HBA 10
Rotatable Bond Count 12
Exact Mass 654.26896418 g/mol
Monoisotopic Mass 654.26896418 g/mol
Heavy Atom Count 48
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1170
xlogp 2.6
Topological Polar Surface Area 207