Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04806"

PredicateValue (sorted: default)
rdfs:label
"(5-BROMO-4-CHLORO-3-INDOLYL)-A-D-MANNOSE"
rdf:type
drugbank:description
" experimental This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl Compounds Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Hexoses Indoles Alkyl Aryl Ethers Chlorobenzenes Bromobenzenes Substituted Pyrroles Aryl Chlorides Aryl Bromides Oxanes Secondary Alcohols 1,2-Diols Primary Alcohols Polyamines Acetals Organochlorides Organobromides indole indole or derivative chlorobenzene alkyl aryl ether bromobenzene monosaccharide substituted pyrrole benzene oxane aryl halide aryl chloride aryl bromide pyrrole polyol secondary alcohol 1,2-diol acetal ether primary alcohol polyamine organohalogen organochloride organobromide alcohol organonitrogen compound logP 1.18 ALOGPS logS -2.4 ALOGPS Water Solubility 1.72e+00 g/l ALOGPS logP 0.87 ChemAxon IUPAC Name (2R,3S,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon Traditional IUPAC Name (2R,3S,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon Molecular Weight 408.629 ChemAxon Monoisotopic Weight 406.977127571 ChemAxon SMILES OC[C@H]1O[C@H](OC2=CNC3=C2C(Cl)=C(Br)C=C3)[C@@H](O)[C@@H](O)[C@@H]1O ChemAxon Molecular Formula C14H15BrClNO6 ChemAxon InChI InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1 ChemAxon InChIKey InChIKey=OPIFSICVWOWJMJ-HAAGFXOZSA-N ChemAxon Polar Surface Area (PSA) 115.17 ChemAxon Refractivity 83.7 ChemAxon Polarizability 33.94 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 12.2 ChemAxon pKa (strongest basic) -3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 5289587 PubChem Substance 46506917 PDB XMM "

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