5'-dGMP   

GtoPdb Ligand ID: 5122

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 195.62
Molecular weight 347.06
XLogP -1.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC1CC(OC1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O
Isomeric SMILES O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O
InChI InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChI Key LTFMZDNNPPEQNG-KVQBGUIXSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
{[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Database Links
CAS Registry No. 902-04-5
ChEBI CHEBI:16192
ChEMBL Ligand CHEMBL477487
GtoPdb PubChem SID 178101815
PubChem CID 65059
RCSB PDB Ligand DG, DGP, PG7
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Wikipedia Deoxyguanosine monophosphate