adpr

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 3
PubChem 30243
Molecular Formula

C15H23N5O14P2

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](C=O)O)O)O)O)O)N

InChI

InChI=1S/C15H23N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t6-,7+,8+,10-,11+,12+,15+/m0/s1

synonyms
  • ADP Ribose
  • 20762-30-5
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate
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Properties
Property Value
MW 559.32 g/mol
HBD 8
HBA 18
Rotatable Bond Count 12
Exact Mass 559.07167442 g/mol
Monoisotopic Mass 559.07167442 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 859
xlogp -6.4
Topological Polar Surface Area 299