1.0 2020-05-06 19:43:00 UTC 2020-05-07 14:45:13 UTC BMDB0109708 3,6-Anhydro-D-galactose C6H10O5 162.141 162.052823422 2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde 2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde OC(C=O)[C@H]1OC[C@@H](O)[C@@H]1O InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3?,4-,5+,6-/m1/s1 WZYRMLAWNVOIEX-JPCDQAEASA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Organic compounds Organoheterocyclic compounds Tetrahydrofurans Tetrahydrofurans Alpha-hydroxyaldehydes Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Secondary alcohols Alcohol Aldehyde Aliphatic heteromonocyclic compound Alpha-hydroxyaldehyde Carbonyl group Dialkyl ether Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran Aliphatic heteromonocyclic compounds logp -1.62 ALOGPS logs 0.66 ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 12.34 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde ChemAxon average_mass 162.141 ChemAxon mono_mass 162.052823422 ChemAxon smiles OC(C=O)[C@H]1OC[C@@H](O)[C@@H]1O ChemAxon formula C6H10O5 ChemAxon inchi InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3?,4-,5+,6-/m1/s1 ChemAxon inchikey WZYRMLAWNVOIEX-JPCDQAEASA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 33.84 ChemAxon polarizability 14.65 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 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 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 5318964