1.0 2016-06-03 12:20:31 UTC 2026-03-26 21:38:54 UTC ß-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-, 5-(4-methylbenzenesulfonate) SmallMolecule ß-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-, 5-(4-methylbenzenesulfonate) is an organic compound with the chemical formula C16H22O7S and an average molecular weight of 358.41 g/mol. ß-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-, 5-(4-methylbenzenesulfonate) belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound has been identified in 19 recorded sources across several sectors. Within drinking water and water supply, it is found in tap water, bottled water, desalinated water, and general drinking water. In aquatic systems and sediments, it occurs in freshwater, seawater, surface water, and groundwater. Its presence in wastewater, sanitation, and biosolids includes mine wastewater, industrial wastewater, wastewater treatment effluent, and unspecified wastewater. Additionally, it is found in agriculture and land management via irrigation water, and in marine, shipping, and aquaculture sectors within bilge water and ballast water. The compound is also associated with appliances, HVAC, and refrigerants, specifically in water heaters and water coolers. Recorded routes of exposure for this substance include oral, inhalation, and touch. PMT C16H22O7S 358.41 358.108624222 {6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl}methyl 4-methylbenzene-1-sulfonate {6-methoxy-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl}methyl 4-methylbenzenesulfonate 4137-56-8 COC1OC(COS(=O)(=O)C2=CC=C(C)C=C2)C2OC(C)(C)OC12 InChI=1S/C16H22O7S/c1-10-5-7-11(8-6-10)24(17,18)20-9-12-13-14(15(19-4)21-12)23-16(2,3)22-13/h5-8,12-15H,9H2,1-4H3 IAPMZKRZMYQZSW-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Benzenesulfonate esters 1,3-dioxolanes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Hydrocarbon derivatives Ketals Monosaccharides Organic oxides Organosulfonic acid esters Oxacyclic compounds Sulfonyls Tetrahydrofurans Tosyl compounds p-Methylbenzenesulfonates Acetal Aromatic heteropolycyclic compound Arylsulfonic acid or derivatives Benzenesulfonate ester Benzenesulfonyl group Hydrocarbon derivative Ketal Meta-dioxolane Monosaccharide Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organooxygen compound Organosulfonic acid ester Organosulfonic acid or derivatives Organosulfur compound Oxacycle P-methylbenzenesulfonate Sulfonyl Tetrahydrofuran Toluene Tosyl compound Aromatic heteropolycyclic compounds Detected and Not Quantified logp 1.98 ALOGPS logs -2.72 ALOGPS solubility 6.82e-01 g/l ALOGPS logp 2.61 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac {6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl}methyl 4-methylbenzene-1-sulfonate ChemAxon average_mass 358.41 ChemAxon mono_mass 358.108624222 ChemAxon smiles COC1OC(COS(=O)(=O)C2=CC=C(C)C=C2)C2OC(C)(C)OC12 ChemAxon formula C16H22O7S ChemAxon inchi InChI=1S/C16H22O7S/c1-10-5-7-11(8-6-10)24(17,18)20-9-12-13-14(15(19-4)21-12)23-16(2,3)22-13/h5-8,12-15H,9H2,1-4H3 ChemAxon inchikey IAPMZKRZMYQZSW-UHFFFAOYSA-N ChemAxon polar_surface_area 80.29 ChemAxon refractivity 84.86 ChemAxon polarizability 36.05 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3d41e08> 236623 206548