1.0 2016-09-30 23:27:02 UTC 2020-04-22 15:18:54 UTC BMDB0006872 BMDB06872 D-Tagatose 1,6-bisphosphate 1,6-Di-O-phosphono-D-tagatofuranose D-Tagatose 1,6-bisphosphoric acid D-Tagatofuranose 1,6-bisphosphate D-Tagatofuranose 1,6-bisphosphoric acid D-Tagatose 1,6-bisphosphate C6H14O12P2 340.1157 339.996048936 {[(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid [(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxyphosphonic acid O[C@@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+,5+,6?/m1/s1 RNBGYGVWRKECFJ-OEXCPVAWSA-N belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Hexose phosphates 1,2-diols C-glycosyl compounds Hemiacetals Hydrocarbon derivatives Monoalkyl phosphates Monosaccharide phosphates Organic oxides Oxacyclic compounds Pentose phosphates Secondary alcohols Tetrahydrofurans 1,2-diol Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate C-glycosyl compound Glycosyl compound Hemiacetal Hexose phosphate Hydrocarbon derivative Monoalkyl phosphate Monosaccharide phosphate Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Secondary alcohol Tetrahydrofuran Aliphatic heteromonocyclic compounds D-tagatose 1,6-bisphosphate Solid logp -1.51 ALOGPS logs -1.33 ALOGPS logp -3 ChemAxon pka_strongest_acidic 0.89 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac {[(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 340.1157 ChemAxon mono_mass 339.996048936 ChemAxon smiles O[C@@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O ChemAxon formula C6H14O12P2 ChemAxon inchi InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+,5+,6?/m1/s1 ChemAxon inchikey RNBGYGVWRKECFJ-OEXCPVAWSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 58.11 ChemAxon polarizability 25.12 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18334 Specdb::CMs 39126 Specdb::CMs 172913 Specdb::MsMs 26915 Specdb::MsMs 26916 Specdb::MsMs 26917 Specdb::MsMs 33473 Specdb::MsMs 33474 Specdb::MsMs 33475 Specdb::MsMs 2439550 Specdb::MsMs 2439551 Specdb::MsMs 2439552 Specdb::MsMs 2522664 Specdb::MsMs 2522665 Specdb::MsMs 2522666 Specdb::NmrOneD 11162 Specdb::NmrOneD 11163 Specdb::NmrOneD 11164 Specdb::NmrOneD 11165 Specdb::NmrOneD 11166 Specdb::NmrOneD 11167 Specdb::NmrOneD 11168 Specdb::NmrOneD 11169 Specdb::NmrOneD 11170 Specdb::NmrOneD 11171 Specdb::NmrOneD 11172 Specdb::NmrOneD 11173 Specdb::NmrOneD 11174 Specdb::NmrOneD 11175 Specdb::NmrOneD 11176 Specdb::NmrOneD 11177 Specdb::NmrOneD 11178 Specdb::NmrOneD 11179 Specdb::NmrOneD 11180 Specdb::NmrOneD 11181 FDB024127 389117 440117 C03785 4250