Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02536"

PredicateValue (sorted: default)
rdfs:label
"(2r)-2,3-Dihydroxypropanal"
rdf:type
drugbank:description
" 367-47-5 experimental This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary Alcohols Organic Compounds Organooxygen Compounds Alcohols and Polyols Secondary Alcohols 1,2-Diols Enolates Polyamines Primary Alcohols Aldehydes enolate polyamine primary alcohol aldehyde logP -1.6 ALOGPS logS 0.96 ALOGPS Water Solubility 8.14e+02 g/l ALOGPS logP -1.7 ChemAxon IUPAC Name (2R)-2,3-dihydroxypropanal ChemAxon Traditional IUPAC Name glyceraldehyde ChemAxon Molecular Weight 90.0779 ChemAxon Monoisotopic Weight 90.031694058 ChemAxon SMILES OC[C@@H](O)C=O ChemAxon Molecular Formula C3H6O3 ChemAxon InChI InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1 ChemAxon InChIKey InChIKey=MNQZXJOMYWMBOU-VKHMYHEASA-N ChemAxon Polar Surface Area (PSA) 57.53 ChemAxon Refractivity 19.46 ChemAxon Polarizability 8.05 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 12.8 ChemAxon pKa (strongest basic) -3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Melting Point 145 °C PhysProp ChEBI 5445 PubChem Compound 79014 PubChem Substance 46508159 KEGG Compound C02154 ChemSpider 731 PDB 3GR "
owl:sameAs

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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