1.0 2016-09-30 23:19:01 UTC 2020-04-22 15:16:28 UTC BMDB0005831 BMDB05831 Sorbitol-6-phosphate Hexitol 1-phosphate Hexitol 1-phosphoric acid Sorbitol-6-phosphoric acid Sorbitol 6-phosphate Alditol 6-phosphate D-Mannitol, 1-(dihydrogenphosphate) D-Mannitol-6-phosphate D-Sorbitol 6-phosphate Glucitol-6-phosphate C6H15O9P 262.1517 262.04536859 [(2,3,4,5,6-pentahydroxyhexyl)oxy]phosphonic acid (2,3,4,5,6-pentahydroxyhexyl)oxyphosphonic acid 20479-58-7 OCC(O)C(O)C(O)C(O)COP(O)(O)=O InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14) GACTWZZMVMUKNG-UHFFFAOYSA-N belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Monosaccharide phosphates Hydrocarbon derivatives Monoalkyl phosphates Organic oxides Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic acyclic compound Alkyl phosphate Hydrocarbon derivative Monoalkyl phosphate Monosaccharide phosphate Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Aliphatic acyclic compounds alditol phosphate Solid logp -2.32 ALOGPS logs -0.99 ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 1.49 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2,3,4,5,6-pentahydroxyhexyl)oxy]phosphonic acid ChemAxon average_mass 262.1517 ChemAxon mono_mass 262.04536859 ChemAxon smiles OCC(O)C(O)C(O)C(O)COP(O)(O)=O ChemAxon formula C6H15O9P ChemAxon inchi InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14) ChemAxon inchikey GACTWZZMVMUKNG-UHFFFAOYSA-N ChemAxon polar_surface_area 167.91 ChemAxon refractivity 49.28 ChemAxon polarizability 21.73 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 12537 Specdb::CMs 38908 Specdb::CMs 160100 Specdb::NmrOneD 61172 Specdb::NmrOneD 61173 Specdb::NmrOneD 61174 Specdb::NmrOneD 61175 Specdb::NmrOneD 61176 Specdb::NmrOneD 61177 Specdb::NmrOneD 61178 Specdb::NmrOneD 61179 Specdb::NmrOneD 61180 Specdb::NmrOneD 61181 Specdb::NmrOneD 61182 Specdb::NmrOneD 61183 Specdb::NmrOneD 61184 Specdb::NmrOneD 61185 Specdb::NmrOneD 61186 Specdb::NmrOneD 61187 Specdb::NmrOneD 61188 Specdb::NmrOneD 61189 Specdb::NmrOneD 61190 Specdb::NmrOneD 61191 Specdb::MsMs 28568 Specdb::MsMs 28569 Specdb::MsMs 28570 Specdb::MsMs 35126 Specdb::MsMs 35127 Specdb::MsMs 35128 Specdb::MsMs 2360204 Specdb::MsMs 2360205 Specdb::MsMs 2360206 Specdb::MsMs 2604941 Specdb::MsMs 2604942 Specdb::MsMs 2604943 FDB023777 598 618 743019 C02810