pentosidine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 69
Total Number of Articles : 87
PubChem 119593
Molecular Formula

C17H26N6O4

SMILES

C1=CN(C2=NC(=NC2=C1)NCCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1

synonyms
  • Pentosidine
  • 124505-87-9
  • BJ4I2X2CQJ
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Properties
Property Value
MW 378.4 g/mol
HBD 5
HBA 9
Rotatable Bond Count 12
Exact Mass 378.20155333 g/mol
Monoisotopic Mass 378.20155333 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 494
xlogp -4.7
Topological Polar Surface Area 169