1.0 2016-09-30 23:26:06 UTC 2020-04-22 15:18:37 UTC BMDB0006797 BMDB06797 Sorbose 1-phosphate 1-O-Phosphono-L-sorbose L-Sorbose 1P L-Xylo-hex-2-ulose 1-(dihydrogen phosphate) L-Xylo-hexulose 1-phosphate L-Sorbose 1-phosphate L-Xylo-hex-2-ulose 1-(dihydrogen phosphoric acid) L-Xylo-hexulose 1-phosphoric acid L-Sorbose 1-phosphoric acid Sorbose 1-phosphoric acid C6H13O9P 260.1358 260.029718526 {[(3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexyl]oxy}phosphonic acid sorbose 1-phosphate OC[C@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6+/m0/s1 ZKLLSNQJRLJIGT-OTWZMJIISA-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 Acyloins Alpha-hydroxy ketones Beta-hydroxy ketones Glycerone phosphates Hydrocarbon derivatives Monoalkyl phosphates Octoses Organic oxides Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives Acyloin Alcohol Aliphatic acyclic compound Alkyl phosphate Alpha-hydroxy ketone Beta-hydroxy ketone Carbonyl group Glycerone phosphate Hydrocarbon derivative Ketone Monoalkyl phosphate Monosaccharide phosphate Octose monosaccharide Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Sugar acid Aliphatic acyclic compounds sorbose 1-phosphate Solid logp -1.80 ALOGPS logs -1.05 ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.18 ChemAxon pka_strongest_basic -3 ChemAxon iupac {[(3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexyl]oxy}phosphonic acid ChemAxon average_mass 260.1358 ChemAxon mono_mass 260.029718526 ChemAxon smiles OC[C@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O ChemAxon formula C6H13O9P ChemAxon inchi InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6+/m0/s1 ChemAxon inchikey ZKLLSNQJRLJIGT-OTWZMJIISA-N ChemAxon polar_surface_area 164.75 ChemAxon refractivity 48.43 ChemAxon polarizability 20.88 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 6 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 11011 Specdb::CMs 39091 Specdb::CMs 135067 Specdb::CMs 142801 Specdb::MsMs 290281 Specdb::MsMs 290282 Specdb::MsMs 290283 Specdb::MsMs 329926 Specdb::MsMs 329927 Specdb::MsMs 329928 Specdb::MsMs 2286841 Specdb::MsMs 2286842 Specdb::MsMs 2286843 Specdb::MsMs 3082398 Specdb::MsMs 3082399 Specdb::MsMs 3082400 Specdb::NmrOneD 91472 Specdb::NmrOneD 91473 Specdb::NmrOneD 91474 Specdb::NmrOneD 91475 Specdb::NmrOneD 91476 Specdb::NmrOneD 91477 Specdb::NmrOneD 91478 Specdb::NmrOneD 91479 Specdb::NmrOneD 91480 Specdb::NmrOneD 91481 Specdb::NmrOneD 91482 Specdb::NmrOneD 91483 Specdb::NmrOneD 91484 Specdb::NmrOneD 91485 Specdb::NmrOneD 91486 Specdb::NmrOneD 91487 Specdb::NmrOneD 91488 Specdb::NmrOneD 91489 Specdb::NmrOneD 91490 Specdb::NmrOneD 91491 FDB024084 C02888 388882 439837 38342 CPD-531 C00019630