1.0 2016-09-30 22:45:07 UTC 2020-04-22 15:07:57 UTC BMDB0001385 BMDB01385 3-Keto-b-D-galactose 3-Dehydro-beta-D-galactose 3-Dehydro-beta-delta-galactose 3-Keto-beta-D-galactose 3-Keto-beta-delta-galactose 3-Keto-β-D-galactose 3-Keto-b-D-galactose C6H10O6 178.14 178.047738052 (2R,3S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-one 3-keto-b-D-galactose OC[C@H]1O[C@@H](O)[C@H](O)C(=O)[C@H]1O InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m1/s1 APIQNBNBIICCON-FKMSRSAHSA-N belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Hexoses Cyclic ketones Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Carbonyl group Cyclic ketone Hemiacetal Hexose monosaccharide Hydrocarbon derivative Ketone Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds ketohexose Solid logp -2.21 ALOGPS logs 0.53 ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 10.36 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-one ChemAxon average_mass 178.14 ChemAxon mono_mass 178.047738052 ChemAxon smiles OC[C@H]1O[C@@H](O)[C@H](O)C(=O)[C@H]1O ChemAxon formula C6H10O6 ChemAxon inchi InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m1/s1 ChemAxon inchikey APIQNBNBIICCON-FKMSRSAHSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 35.16 ChemAxon polarizability 15.29 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 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::MsIr 1236 Specdb::MsIr 1237 Specdb::MsIr 1238 Specdb::CMs 20686 Specdb::CMs 38047 Specdb::CMs 135752 Specdb::CMs 143486 Specdb::NmrOneD 147630 Specdb::NmrOneD 147631 Specdb::NmrOneD 147632 Specdb::NmrOneD 147633 Specdb::NmrOneD 147634 Specdb::NmrOneD 147635 Specdb::NmrOneD 147636 Specdb::NmrOneD 147637 Specdb::NmrOneD 147638 Specdb::NmrOneD 147639 Specdb::NmrOneD 147640 Specdb::NmrOneD 147641 Specdb::NmrOneD 147642 Specdb::NmrOneD 147643 Specdb::NmrOneD 147644 Specdb::NmrOneD 147645 Specdb::NmrOneD 147646 Specdb::NmrOneD 147647 Specdb::NmrOneD 147648 Specdb::NmrOneD 147649 Specdb::MsMs 312070 Specdb::MsMs 312071 Specdb::MsMs 312072 Specdb::MsMs 357220 Specdb::MsMs 357221 Specdb::MsMs 357222 Specdb::MsMs 2268868 Specdb::MsMs 2268869 Specdb::MsMs 2268870 Specdb::MsMs 3073143 Specdb::MsMs 3073144 Specdb::MsMs 3073145 C05394 FDB030433 389534 440653 27453 6206