1.0 2019-10-15 23:06:37 UTC 2019-10-15 23:06:38 UTC FDB093690 Dihydroresveratrol 3-sulfate C14H14O6S 310.32 310.051109345 {3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid {3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid OC1=CC=C(CCC2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1 InChI=1S/C14H14O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19) KAVKAZLSONPCRU-UHFFFAOYSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic compounds Phenylpropanoids and polyketides Stilbenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Organic oxides Organooxygen compounds Phenoxy compounds Phenylsulfates Sulfuric acid monoesters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Arylsulfate Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Phenol Phenoxy compound Phenylsulfate Stilbene Sulfate-ester Sulfuric acid ester Sulfuric acid monoester dihydroresveratrol sulfate logp 0.54 ALOGPS logs -3.22 ALOGPS solubility 1.88e-01 g/l ALOGPS logp 3.12 ChemAxon pka_strongest_acidic -2 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac {3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid ChemAxon average_mass 310.32 ChemAxon mono_mass 310.051109345 ChemAxon smiles OC1=CC=C(CCC2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1 ChemAxon formula C14H14O6S ChemAxon inchi InChI=1S/C14H14O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19) ChemAxon inchikey KAVKAZLSONPCRU-UHFFFAOYSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 76.33 ChemAxon polarizability 30.16 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5603 Specdb::CMs 134233 Specdb::CMs 141967 Specdb::MsMs 239872 Specdb::MsMs 239873 Specdb::MsMs 239874 Specdb::MsMs 241927 Specdb::MsMs 241928 Specdb::MsMs 241929 Specdb::MsMs 2812025 Specdb::MsMs 2812026 Specdb::MsMs 2812027 Specdb::MsMs 2896551 Specdb::MsMs 2896552 Specdb::MsMs 2896553 FOBI:030603