5'-dAMP   

GtoPdb Ligand ID: 5120

Synonyms: 2'-deoxyadenosine 5'-monophosphate | dAMP
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 175.65
Molecular weight 331.07
XLogP -2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC1CC(OC1COP(=O)(O)O)n1cnc2c1ncnc2N
Isomeric SMILES O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N
InChI InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChI Key KHWCHTKSEGGWEX-RRKCRQDMSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Synonyms
2'-deoxyadenosine 5'-monophosphate | dAMP
Database Links
CAS Registry No. 653-63-4
ChEBI CHEBI:17713
ChEMBL Ligand CHEMBL1206239
GtoPdb PubChem SID 178101813
PubChem CID 12599
RCSB PDB Ligand D5M, DA
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Wikipedia Deoxyadenosine monophosphate