Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04060"

PredicateValue (sorted: default)
rdfs:label
"(5-Methyl-6-Oxo-1,6-Dihydro-Pyridin-3-Yl)-1,2-Dideoxy-Ribofuranose-5-Monophosphate"
rdf:type
drugbank:description
" experimental This compound belongs to the pyridinones. These are compounds containing a pyridine ring, which bears a ketone. Pyridinones Organic Compounds Heterocyclic Compounds Pyridines and Derivatives Hydropyridines Dihydropyridines Organophosphate Esters Organic Phosphoric Acids Tetrahydrofurans Oxolanes Secondary Alcohols Polyamines Dialkyl Ethers phosphoric acid ester organic phosphate tetrahydrofuran oxolane secondary alcohol polyamine dialkyl ether ether organonitrogen compound alcohol logP -1.2 ALOGPS logS -1.9 ALOGPS Water Solubility 4.26e+00 g/l ALOGPS logP -1.4 ChemAxon IUPAC Name {[(2S,3R,5R)-3-hydroxy-5-(5-methyl-6-oxo-1,6-dihydropyridin-3-yl)oxolan-2-yl]methoxy}phosphonic acid ChemAxon Traditional IUPAC Name [(2S,3R,5R)-3-hydroxy-5-(5-methyl-6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxyphosphonic acid ChemAxon Molecular Weight 305.221 ChemAxon Monoisotopic Weight 305.066438383 ChemAxon SMILES CC1=CC(=CNC1=O)[C@H]1C[C@@H](O)[C@H](COP(O)(O)=O)O1 ChemAxon Molecular Formula C11H16NO7P ChemAxon InChI InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9-,10+/m1/s1 ChemAxon InChIKey InChIKey=MUWYCJQCZPFLFI-BBBLOLIVSA-N ChemAxon Polar Surface Area (PSA) 125.32 ChemAxon Refractivity 68.57 ChemAxon Polarizability 27.46 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 1.24 ChemAxon pKa (strongest basic) -2.6 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 46936875 PubChem Substance 46506947 PDB MTR "
owl:sameAs

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