1.0 2016-09-30 23:02:44 UTC 2020-06-04 20:32:37 UTC BMDB0003081 BMDB03081 Beta-D-Fucose beta-D-Fuc WURCS=2.0/1,1,0/[a2112m-1b_1-5]/1/ b-D-Fuc Β-D-fuc b-D-Fucose Β-D-fucose 6-Deoxy-beta-D-galactopyranose 6-Deoxy-beta-delta-galactopyranose b-D-Fucopyranose beta-D-Fucopyranose beta-delta-Fuc beta-delta-Fucopyranose FCB 6-Deoxy-beta-D-galactose 6-Deoxy-β-D-galactopyranose 6-Deoxy-β-D-galactose beta-D-Fucose β-D-Fucopyranose C6H12O5 164.1565 164.068473494 (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol β-D-fucose 28161-52-6 C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1 SHZGCJCMOBCMKK-FPRJBGLDSA-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 Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Hemiacetal Hexose monosaccharide Hydrocarbon derivative Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol Aliphatic heteromonocyclic compounds D-fucopyranose Solid logp -2.39 ALOGPS logs 0.70 ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 11.3 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol ChemAxon average_mass 164.1565 ChemAxon mono_mass 164.068473494 ChemAxon smiles C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ChemAxon formula C6H12O5 ChemAxon inchi InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1 ChemAxon inchikey SHZGCJCMOBCMKK-FPRJBGLDSA-N ChemAxon polar_surface_area 90.15 ChemAxon refractivity 34.38 ChemAxon polarizability 15.28 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::MsIr 1872 Specdb::MsIr 1873 Specdb::MsIr 1874 Specdb::NmrOneD 149400 Specdb::NmrOneD 149401 Specdb::NmrOneD 149402 Specdb::NmrOneD 149403 Specdb::NmrOneD 149404 Specdb::NmrOneD 149405 Specdb::NmrOneD 149406 Specdb::NmrOneD 149407 Specdb::NmrOneD 149408 Specdb::NmrOneD 149409 Specdb::NmrOneD 149410 Specdb::NmrOneD 149411 Specdb::NmrOneD 149412 Specdb::NmrOneD 149413 Specdb::NmrOneD 149414 Specdb::NmrOneD 149415 Specdb::NmrOneD 149416 Specdb::NmrOneD 149417 Specdb::NmrOneD 149418 Specdb::NmrOneD 149419 Specdb::CMs 6603 Specdb::CMs 30091 Specdb::CMs 30092 Specdb::CMs 38523 Specdb::CMs 99797 Specdb::CMs 99798 Specdb::CMs 172354 Specdb::MsMs 248652 Specdb::MsMs 248653 Specdb::MsMs 248654 Specdb::MsMs 268593 Specdb::MsMs 268594 Specdb::MsMs 268595 Specdb::MsMs 3039796 Specdb::MsMs 3039797 Specdb::MsMs 3039798 Specdb::MsMs 3100779 Specdb::MsMs 3100780 Specdb::MsMs 3100781 Ruminal Fluid 763.813 +/- 751.731 uM Fozia Saleem, Souhaila Bouatra, An Chi Guo, Nikolaos Psychogios, Rupasri Mandal, Suzanna M. Dunn, Burim N. Ametaj, David S. Wishart. The Bovine Ruminal Fluid Metabolome. Metabolomics (2013) 9:360–378. DB04062 FDB023106 C02095 388721 439650 27442 CPD-13293 3284