adenosine diphosphate (hydroxymethyl)pyrrolidinediol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 6
PubChem 6918639
Molecular Formula

C15H24N6O12P2

SMILES

C1[C@@H]([C@@H]([C@H](N1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O

InChI

InChI=1S/C15H24N6O12P2/c16-13-9-14(19-4-18-13)21(5-20-9)15-12(25)11(24)8(32-15)3-31-35(28,29)33-34(26,27)30-2-6-10(23)7(22)1-17-6/h4-8,10-12,15,17,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,16,18,19)/t6-,7+,8-,10-,11-,12-,15-/m1/s1

synonyms
  • ADP-HPD
  • 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE
  • CHEMBL1230692
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Properties
Property Value
MW 542.33 g/mol
HBD 8
HBA 17
Rotatable Bond Count 9
Exact Mass 542.09274422 g/mol
Monoisotopic Mass 542.09274422 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 846
xlogp -8.2
Topological Polar Surface Area 274