1.0 2016-10-03 18:35:24 UTC 2020-04-22 15:49:26 UTC BMDB0012276 BMDB12276 Phosphoribosyl-AMP 1-(5-Phosphoribosyl)-AMP 5-Phosphoribosyl-AMP N-(5'-Phospho-D-ribosyl)-AMP N-(5-Phospho-D-ribosyl)-AMP N1-(5-Phospho-D-ribosyl)-AMP C15H23N5O14P2 559.3157 559.071673493 {[(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-imino-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid [(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-iminopurin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN([C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14+,15-/m1/s1 RTQMRTSPTLIIHM-ZTRAZTMKSA-N belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside monophosphates Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentose phosphates Purines and purine derivatives Pyrimidines and pyrimidine derivatives Secondary alcohols Tetrahydrofurans Alcohol Alkyl phosphate Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Purine Purine ribonucleoside monophosphate Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds Solid logp -2.17 ALOGPS logs -1.94 ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 0.81 ChemAxon pka_strongest_basic 5.95 ChemAxon iupac {[(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-imino-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 559.3157 ChemAxon mono_mass 559.071673493 ChemAxon smiles O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN([C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N ChemAxon formula C15H23N5O14P2 ChemAxon inchi InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14+,15-/m1/s1 ChemAxon inchikey RTQMRTSPTLIIHM-ZTRAZTMKSA-N ChemAxon polar_surface_area 290.17 ChemAxon refractivity 122.54 ChemAxon polarizability 47.36 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17296 Specdb::CMs 39894 Specdb::MsMs 28727 Specdb::MsMs 28728 Specdb::MsMs 28729 Specdb::MsMs 35285 Specdb::MsMs 35286 Specdb::MsMs 35287 Specdb::NmrOneD 286715 Specdb::NmrOneD 286716 Specdb::NmrOneD 286717 Specdb::NmrOneD 286718 Specdb::NmrOneD 286719 Specdb::NmrOneD 286720 Specdb::NmrOneD 286721 Specdb::NmrOneD 286722 Specdb::NmrOneD 286723 Specdb::NmrOneD 286724 Specdb::NmrOneD 286725 Specdb::NmrOneD 286726 Specdb::NmrOneD 286727 Specdb::NmrOneD 286728 Specdb::NmrOneD 286729 Specdb::NmrOneD 286730 Specdb::NmrOneD 286731 Specdb::NmrOneD 286732 Specdb::NmrOneD 286733 Specdb::NmrOneD 286734 FDB028908 439795 PHOSPHORIBOSYL-AMP