1.0 2016-09-30 23:27:03 UTC 2020-04-22 15:18:55 UTC BMDB0006873 BMDB06873 D-Tagatose 6-phosphate D-Tagatose 6-phosphoric acid 6-O-Phosphono-D-tagatofuranose D-Tagatofuranose 6-(dihydrogen phosphate) D-Tagatofuranose 6-phosphoric acid D-Tagatose 6-phosphate C6H13O9P 260.1358 260.029718526 {[(2R,3R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid D-tagatose 6-phosphate OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m1/s1 BGWGXPAPYGQALX-OEXCPVAWSA-N belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Pentose phosphates C-glycosyl compounds Hemiacetals Hydrocarbon derivatives Monoalkyl phosphates Monosaccharide phosphates Organic oxides Oxacyclic compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate C-glycosyl compound Glycosyl compound Hemiacetal Hydrocarbon derivative Monoalkyl phosphate Monosaccharide phosphate Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Aliphatic heteromonocyclic compounds D-tagatose 6-phosphate Solid logp -2.11 ALOGPS logs -0.89 ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 1.22 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac {[(2R,3R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 260.1358 ChemAxon mono_mass 260.029718526 ChemAxon smiles OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O ChemAxon formula C6H13O9P ChemAxon inchi InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m1/s1 ChemAxon inchikey BGWGXPAPYGQALX-OEXCPVAWSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 47.23 ChemAxon polarizability 21.05 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -2 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 17666 Specdb::CMs 39127 Specdb::CMs 132319 Specdb::CMs 140053 Specdb::MsMs 29435 Specdb::MsMs 29436 Specdb::MsMs 29437 Specdb::MsMs 35993 Specdb::MsMs 35994 Specdb::MsMs 35995 Specdb::MsMs 2689835 Specdb::MsMs 2689836 Specdb::MsMs 2689837 Specdb::MsMs 2989199 Specdb::MsMs 2989200 Specdb::MsMs 2989201 Specdb::NmrOneD 11182 Specdb::NmrOneD 11183 Specdb::NmrOneD 11184 Specdb::NmrOneD 11185 Specdb::NmrOneD 11186 Specdb::NmrOneD 11187 Specdb::NmrOneD 11188 Specdb::NmrOneD 11189 Specdb::NmrOneD 11190 Specdb::NmrOneD 11191 Specdb::NmrOneD 11192 Specdb::NmrOneD 11193 Specdb::NmrOneD 11194 Specdb::NmrOneD 11195 Specdb::NmrOneD 11196 Specdb::NmrOneD 11197 Specdb::NmrOneD 11198 Specdb::NmrOneD 11199 Specdb::NmrOneD 11200 Specdb::NmrOneD 11201 FDB024128 388513 C01097 439396 4251 C00019683