1.0 2016-10-03 18:34:10 UTC 2020-04-22 15:49:02 UTC BMDB0012208 BMDB12208 D-Erythro-imidazole-glycerol-phosphate D-Erythro-imidazole-glycerol 3-phosphate D-Erythro-imidazole-glycerol phosphate D-Erythro-imidazole-glycerol 3-phosphoric acid D-Erythro-imidazole-glycerol phosphoric acid D-Erythro-imidazole-glycerol-phosphoric acid D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate D-erythro-Imidazoleglycerol-phosphate D-erythro-Imidazole-glycerol-P D-erythro-Imidazole-glycerol-phosphate D-erythro-Imidazolylglycerol phosphate IGP Imidazole glycerol phosphate erythro-Imidazole-glycerol-P erythro-Imidazole-glycerol-phosphate C6H11N2O6P 238.1351 238.035472606 [(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxy]phosphonic acid (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxyphosphonic acid 36244-87-8 O[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N1 InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1 HFYBTHCYPKEDQQ-RITPCOANSA-N belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Organic compounds Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Monoalkyl phosphates 1,2-diols Aromatic alcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols 1,2-diol Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Monoalkyl phosphate Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Aromatic heteromonocyclic compounds imidazoles sn-glycerol 3-phosphates Solid logp -1.59 ALOGPS logs -1.03 ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 1.48 ChemAxon pka_strongest_basic 5.79 ChemAxon iupac [(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxy]phosphonic acid ChemAxon average_mass 238.1351 ChemAxon mono_mass 238.035472606 ChemAxon smiles O[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N1 ChemAxon formula C6H11N2O6P ChemAxon inchi InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1 ChemAxon inchikey HFYBTHCYPKEDQQ-RITPCOANSA-N ChemAxon polar_surface_area 135.9 ChemAxon refractivity 48.18 ChemAxon polarizability 19.79 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 5 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::MsMs 27866 Specdb::MsMs 27867 Specdb::MsMs 27868 Specdb::MsMs 34424 Specdb::MsMs 34425 Specdb::MsMs 34426 Specdb::MsMs 2738857 Specdb::MsMs 2738858 Specdb::MsMs 2738859 Specdb::MsMs 2969573 Specdb::MsMs 2969574 Specdb::MsMs 2969575 Specdb::CMs 3138 Specdb::CMs 39863 Specdb::CMs 130598 Specdb::CMs 138332 Specdb::NmrOneD 11542 Specdb::NmrOneD 11543 Specdb::NmrOneD 11544 Specdb::NmrOneD 11545 Specdb::NmrOneD 11546 Specdb::NmrOneD 11547 Specdb::NmrOneD 11548 Specdb::NmrOneD 11549 Specdb::NmrOneD 11550 Specdb::NmrOneD 11551 Specdb::NmrOneD 11552 Specdb::NmrOneD 11553 Specdb::NmrOneD 11554 Specdb::NmrOneD 11555 Specdb::NmrOneD 11556 Specdb::NmrOneD 11557 Specdb::NmrOneD 11558 Specdb::NmrOneD 11559 Specdb::NmrOneD 11560 Specdb::NmrOneD 11561 FDB028853 389372 440431 C04666 17805 C00007478 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P