adenosine 5'-monophosphate   Click here for help

GtoPdb Ligand ID: 2455

Abbreviated name: AMP
Synonyms: 5'-AMP | adenosine monophosphate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 195.88
Molecular weight 347.06
XLogP -3.08
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O
Isomeric SMILES O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O
InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI Key UDMBCSSLTHHNCD-KQYNXXCUSA-N

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