2-amino-uridine-5'-monophosphate   Click here for help

GtoPdb Ligand ID: 6201

Synonyms: compound 13g [PMID: 21417463] [1] | iso-CMP
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 187.17
Molecular weight 323.05
XLogP -1.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC1C(O)C(OC1n1ccc(=O)nc1N)COP(=O)(O)O
Isomeric SMILES O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)nc1N)COP(=O)(O)O
InChI InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI Key ONSQLDCEJIIUJS-XVFCMESISA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
{[(2R,3S,4R,5R)-5-(2-amino-4-oxo-1,4-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Synonyms Click here for help
compound 13g [PMID: 21417463] [1] | iso-CMP
Database Links Click here for help
ChEMBL Ligand CHEMBL1233534
GtoPdb PubChem SID 178102822
PubChem CID 49867142
RCSB PDB Ligand IC
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