1.0 2016-09-30 23:00:47 UTC 2020-04-22 15:11:08 UTC BMDB0002541 BMDB02541 Galactonolactone Galactonolactone, (D)-isomer Galactonolactone, (L)-isomer D-galactono-1,4-Lactone D-galactono-1,5-Lactone D-galactono-8-Lactone D-Galactonolactone delta-galactono-1,4-Lactone delta-galactono-1,5-Lactone delta-galactono-8-Lactone delta-Galactonolactone gamma-D-Galactonolactone gamma-delta-Galactonolactone Galactonolactone C6H10O6 178.14 178.047738052 (3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxepan-2-one galactonolactone 2426-46-2 O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O InChI=1S/C6H10O6/c7-2-1-12-6(11)5(10)4(9)3(2)8/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1 WTXGYGWMPUGBAL-MGCNEYSASA-N belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Organic compounds Organoheterocyclic compounds Lactones Lactones Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxepanes Polyols Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxepane Polyol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.29 ALOGPS logs 0.51 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 11.61 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxepan-2-one ChemAxon average_mass 178.14 ChemAxon mono_mass 178.047738052 ChemAxon smiles O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O ChemAxon formula C6H10O6 ChemAxon inchi InChI=1S/C6H10O6/c7-2-1-12-6(11)5(10)4(9)3(2)8/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1 ChemAxon inchikey WTXGYGWMPUGBAL-MGCNEYSASA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 34.78 ChemAxon polarizability 14.99 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 4 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 13543 Specdb::CMs 38439 Specdb::CMs 170276 Specdb::MsIr 1797 Specdb::MsIr 1798 Specdb::MsIr 1799 Specdb::MsMs 26708 Specdb::MsMs 26709 Specdb::MsMs 26710 Specdb::MsMs 33266 Specdb::MsMs 33267 Specdb::MsMs 33268 Specdb::MsMs 2784619 Specdb::MsMs 2784620 Specdb::MsMs 2784621 Specdb::MsMs 2921605 Specdb::MsMs 2921606 Specdb::MsMs 2921607 Specdb::NmrOneD 122658 Specdb::NmrOneD 122659 Specdb::NmrOneD 122660 Specdb::NmrOneD 122661 Specdb::NmrOneD 122662 Specdb::NmrOneD 122663 Specdb::NmrOneD 122664 Specdb::NmrOneD 122665 Specdb::NmrOneD 122666 Specdb::NmrOneD 122667 Specdb::NmrOneD 122668 Specdb::NmrOneD 122669 Specdb::NmrOneD 122670 Specdb::NmrOneD 122671 Specdb::NmrOneD 122672 Specdb::NmrOneD 122673 Specdb::NmrOneD 122674 Specdb::NmrOneD 122675 Specdb::NmrOneD 122676 Specdb::NmrOneD 122677 133098 FDB023025 151006 15895 C03383 6712 Chiocconi Alejandro; Marino Carla; Otal Eugenio; de Lederkremer Rosa M Photoinduced electron transfer and chemical alpha-deoxygenation of D-galactono-1,4-lactone. Synthesis of 2-deoxy-D-lyxo-hexofuranosides. Carbohydrate research (2002), 337(21-23), 2119-26.