1.0 2016-09-30 22:47:15 UTC 2020-04-22 15:08:35 UTC BMDB0001530 BMDB01530 Mannitol 1-phosphate Mannitol 1-phosphoric acid D-Mannitol-1-phosphate Mannitol-1-P Mannitol-1-phosphate D-Mannitol 1-phosphate D-Mannitol 6-phosphate Mannitol 1-phosphate C6H15O9P 262.1517 262.04536859 {[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid mannitol-1-phosphate 15806-48-1 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](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)/t3-,4-,5-,6-/m1/s1 GACTWZZMVMUKNG-KVTDHHQDSA-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 1-phosphate hexitol 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 {[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid ChemAxon average_mass 262.1517 ChemAxon mono_mass 262.04536859 ChemAxon smiles OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](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)/t3-,4-,5-,6-/m1/s1 ChemAxon inchikey GACTWZZMVMUKNG-KVTDHHQDSA-N ChemAxon polar_surface_area 167.91 ChemAxon refractivity 49.28 ChemAxon polarizability 21.53 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 11955 Specdb::CMs 38108 Specdb::CMs 156723 Specdb::MsMs 27740 Specdb::MsMs 27741 Specdb::MsMs 27742 Specdb::MsMs 34298 Specdb::MsMs 34299 Specdb::MsMs 34300 Specdb::MsMs 446460 Specdb::MsMs 446461 Specdb::MsMs 446462 Specdb::MsMs 446463 Specdb::MsMs 446464 Specdb::MsMs 1472513 Specdb::MsMs 1472514 Specdb::MsMs 1472515 Specdb::MsMs 1472516 Specdb::MsMs 1472517 Specdb::MsMs 1472518 Specdb::MsMs 1472519 Specdb::MsMs 1472520 Specdb::MsMs 1472521 Specdb::MsMs 1472522 Specdb::MsMs 1472523 Specdb::MsMs 1472524 Specdb::MsMs 1472525 Specdb::MsMs 1472526 Specdb::NmrOneD 148060 Specdb::NmrOneD 148061 Specdb::NmrOneD 148062 Specdb::NmrOneD 148063 Specdb::NmrOneD 148064 Specdb::NmrOneD 148065 Specdb::NmrOneD 148066 Specdb::NmrOneD 148067 Specdb::NmrOneD 148068 Specdb::NmrOneD 148069 Specdb::NmrOneD 148070 Specdb::NmrOneD 148071 Specdb::NmrOneD 148072 Specdb::NmrOneD 148073 Specdb::NmrOneD 148074 Specdb::NmrOneD 148075 Specdb::NmrOneD 148076 Specdb::NmrOneD 148077 Specdb::NmrOneD 148078 Specdb::NmrOneD 148079 C00644 FDB022673 115387 130418 C00019638 16298 MANNITOL-1P