guanosine 5'-diphosphate   

GtoPdb Ligand ID: 2410

Abbreviated name: GDP
Synonyms: guanosine diphosphate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 7
Rotatable bonds 6
Topological polar surface area 272.19
Molecular weight 443.02
XLogP -3.05
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O
Isomeric SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O
InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChI Key QGWNDRXFNXRZMB-UUOKFMHZSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Synonyms
guanosine diphosphate
Database Links
BindingDB Ligand 50101905
CAS Registry No. 146-91-8 (source: Scifinder)
ChEBI CHEBI:17552
ChEMBL Ligand CHEMBL384759
GtoPdb PubChem SID 135650298
PubChem CID 8977
RCSB PDB Ligand GDP
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Wikipedia Guanosine_diphosphate