1.0 2016-10-03 18:33:15 UTC 2020-04-22 15:48:45 UTC BMDB0012152 BMDB12152 2-O-(6-Phospho-alpha-mannosyl)-D-glycerate 2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate 2-O-(6-Phospho-a-D-mannosyl)-D-glycerate 2-O-(6-Phospho-a-D-mannosyl)-D-glyceric acid 2-O-(6-Phospho-alpha-D-mannosyl)-D-glyceric acid 2-O-(6-Phospho-α-D-mannosyl)-D-glycerate 2-O-(6-Phospho-α-D-mannosyl)-D-glyceric acid 2-O-(6-Phospho-a-mannosyl)-D-glycerate 2-O-(6-Phospho-a-mannosyl)-D-glyceric acid 2-O-(6-Phospho-alpha-mannosyl)-D-glyceric acid 2-O-(6-Phospho-α-mannosyl)-D-glycerate 2-O-(6-Phospho-α-mannosyl)-D-glyceric acid 2-O-(6-phospho-alpha-Mannosyl)-delta-glycerate 2-O-(6-phospho-alpha-Mannosyl)-delta-glyceric acid C9H17O12P 348.1978 348.04576252 (2R)-3-hydroxy-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}propanoic acid (2R)-3-hydroxy-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}propanoic acid OC[C@@H](O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7+,9+/m1/s1 BOLXAGHGKNGVBE-MTXRGOKVSA-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 Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharide phosphates O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glyceric_acid Glycosyl compound Hexose phosphate Hydrocarbon derivative Hydroxy acid Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide phosphate O-glycosyl compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Oxacycle Oxane Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Sugar acid Aliphatic heteromonocyclic compounds carbohydrate acid derivative monocarboxylic acid Solid logp -2.41 ALOGPS logs -1.09 ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.22 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-3-hydroxy-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}propanoic acid ChemAxon average_mass 348.1978 ChemAxon mono_mass 348.04576252 ChemAxon smiles OC[C@@H](O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O ChemAxon formula C9H17O12P ChemAxon inchi InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7+,9+/m1/s1 ChemAxon inchikey BOLXAGHGKNGVBE-MTXRGOKVSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 63.67 ChemAxon polarizability 28.12 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -3 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::MsMs 26288 Specdb::MsMs 26289 Specdb::MsMs 26290 Specdb::MsMs 32846 Specdb::MsMs 32847 Specdb::MsMs 32848 Specdb::MsMs 2313710 Specdb::MsMs 2313711 Specdb::MsMs 2313712 Specdb::MsMs 2652449 Specdb::MsMs 2652450 Specdb::MsMs 2652451 Specdb::CMs 10664 Specdb::CMs 39836 Specdb::CMs 149188 Specdb::CMs 149190 Specdb::CMs 149192 Specdb::CMs 154911 Specdb::CMs 279713 Specdb::NmrOneD 11462 Specdb::NmrOneD 11463 Specdb::NmrOneD 11464 Specdb::NmrOneD 11465 Specdb::NmrOneD 11466 Specdb::NmrOneD 11467 Specdb::NmrOneD 11468 Specdb::NmrOneD 11469 Specdb::NmrOneD 11470 Specdb::NmrOneD 11471 Specdb::NmrOneD 11472 Specdb::NmrOneD 11473 Specdb::NmrOneD 11474 Specdb::NmrOneD 11475 Specdb::NmrOneD 11476 Specdb::NmrOneD 11477 Specdb::NmrOneD 11478 Specdb::NmrOneD 11479 Specdb::NmrOneD 11480 Specdb::NmrOneD 11481 FDB028809 24892815 26332075 C16699 61001 CPD0-1063