1.0 2016-09-30 22:53:52 UTC 2020-04-22 15:10:35 UTC BMDB0002305 BMDB02305 5'-phosphoribosyl-a-N-formylglycineamidine C8H16N3O8P 313.2017 313.067501015 ({5-[(Z)-(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl}methoxy)phosphonic acid {5-[(Z)-(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl}methoxyphosphonic acid OC=NCC(=N)NC1OC(COP(O)(O)=O)C(O)C1O InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17) PMCOGCVKOAOZQM-UHFFFAOYSA-N belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Pentose phosphates 1,2-diols Carbonyl compounds Carboxamidines Carboximidamides Glycosylamines Hydrocarbon derivatives Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organopnictogen compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Secondary carboxylic acid amides Tetrahydrofurans 1,2-diol Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate Amidine Carbonyl group Carboxamide group Carboximidamide Carboxylic acid amidine Carboxylic acid derivative Glycosyl compound Hydrocarbon derivative Monoalkyl phosphate Monosaccharide phosphate N-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Propargyl-type 1,3-dipolar organic compound Secondary alcohol Secondary carboxylic acid amide Tetrahydrofuran Aliphatic heteromonocyclic compounds Solid logp -2.35 ALOGPS logs -1.75 ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 1.22 ChemAxon pka_strongest_basic 6.6 ChemAxon iupac ({5-[(Z)-(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl}methoxy)phosphonic acid ChemAxon average_mass 313.2017 ChemAxon mono_mass 313.067501015 ChemAxon smiles OC=NCC(=N)NC1OC(COP(O)(O)=O)C(O)C1O ChemAxon formula C8H16N3O8P ChemAxon inchi InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17) ChemAxon inchikey PMCOGCVKOAOZQM-UHFFFAOYSA-N ChemAxon polar_surface_area 183.93 ChemAxon refractivity 62.43 ChemAxon polarizability 27.07 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 6 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::CMs 2768 Specdb::CMs 38361 Specdb::MsMs 27653 Specdb::MsMs 27654 Specdb::MsMs 27655 Specdb::MsMs 34211 Specdb::MsMs 34212 Specdb::MsMs 34213 FDB022957 154