1.0 2016-09-30 22:40:56 UTC 2020-04-22 15:06:39 UTC BMDB0001087 BMDB01087 5-Methylthioribose S-Methyl-5-thio-D-ribose 5-(Methylsulfanyl)-D-ribose 5-(Methylsulphanyl)-D-ribose 5-Deoxy-5-(methylthio)ribose 5-Methylthio-D-ribose S(5)-Methyl-5-thio-D-ribose S5-Methyl-5-thio-D-ribose 5-Methylthioribose 5-S-Methyl-5-thio-D-ribose 5-S-Methyl-5-thio-beta-D-ribofuranose 5-S-Methyl-5-thio-β-D-ribofuranose S-Methyl-5-thio-D-ribofuranose C6H12O4S 180.222 180.045629562 (2R,3R,4S,5S)-5-[(methylsulfanyl)methyl]oxolane-2,3,4-triol 5-methylthio-D-ribose 624740-12-1 CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1 OLVVOVIFTBSBBH-KVTDHHQDSA-N belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Pentoses 1,2-diols Dialkylthioethers Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Sulfenyl compounds Tetrahydrofurans 1,2-diol Alcohol Aliphatic heteromonocyclic compound Dialkylthioether Hemiacetal Hydrocarbon derivative Organoheterocyclic compound Organosulfur compound Oxacycle Pentose monosaccharide Polyol Secondary alcohol Sulfenyl compound Tetrahydrofuran Thioether Aliphatic heteromonocyclic compounds Solid logp -1.39 ALOGPS logs -0.01 ALOGPS logp -0.82 ChemAxon pka_strongest_acidic 11.31 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2R,3R,4S,5S)-5-[(methylsulfanyl)methyl]oxolane-2,3,4-triol ChemAxon average_mass 180.222 ChemAxon mono_mass 180.045629562 ChemAxon smiles CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O ChemAxon formula C6H12O4S ChemAxon inchi InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1 ChemAxon inchikey OLVVOVIFTBSBBH-KVTDHHQDSA-N ChemAxon polar_surface_area 69.92 ChemAxon refractivity 40.79 ChemAxon polarizability 17.67 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17120 Specdb::CMs 37921 Specdb::CMs 169297 Specdb::NmrOneD 8562 Specdb::NmrOneD 8563 Specdb::NmrOneD 8564 Specdb::NmrOneD 8565 Specdb::NmrOneD 8566 Specdb::NmrOneD 8567 Specdb::NmrOneD 8568 Specdb::NmrOneD 8569 Specdb::NmrOneD 8570 Specdb::NmrOneD 8571 Specdb::NmrOneD 8572 Specdb::NmrOneD 8573 Specdb::NmrOneD 8574 Specdb::NmrOneD 8575 Specdb::NmrOneD 8576 Specdb::NmrOneD 8577 Specdb::NmrOneD 8578 Specdb::NmrOneD 8579 Specdb::NmrOneD 8580 Specdb::NmrOneD 8581 Specdb::MsIr 1065 Specdb::MsIr 1066 Specdb::MsIr 1067 Specdb::MsMs 28586 Specdb::MsMs 28587 Specdb::MsMs 28588 Specdb::MsMs 35144 Specdb::MsMs 35145 Specdb::MsMs 35146 Specdb::MsMs 3053183 Specdb::MsMs 3053184 Specdb::MsMs 3053185 Specdb::MsMs 3114494 Specdb::MsMs 3114495 Specdb::MsMs 3114496 C03089 FDB022418 388938 439904 16895 5995 CPD-560