1.0 2016-05-27 01:53:45 UTC 2026-05-14 19:58:45 UTC cyclic pyranopterin monophosphate SmallMolecule Cyclic pyranopterin monophosphate is an organoheterocyclic compound with the formula C10H14N5O8P and an average molecular weight of 363.22 g/mol. Cyclic pyranopterin monophosphate belongs to the pterins and derivatives, a subclass of pteridines and derivatives within the organic compounds. This compound is found in or released from healthcare, pharmaceuticals, and veterinary products specifically categorized as alimentary tract and metabolism products, with intravenous administration as a recorded exposure route. In terms of biological activity, it is associated with two recorded protein targets: Xanthine dehydrogenase/oxidase (XDH) and Molybdenum cofactor biosynthesis protein 1 (MOCS1), for which it serves as a cofactor or substrate. C10H14N5O8P 363.2206 363.057998961 (4aR,5aR,11aR,12aS)-2,10,12,12-tetrahydroxy-8-imino-4,4a,5a,6,7,8,11,11a,12,12a-decahydro-2H-1,3,5-trioxa-6,7,9,11-tetraaza-2lambda5-phosphatetracen-2-one (4aR,5aR,11aR,12aS)-2,10,12,12-tetrahydroxy-8-imino-4,4a,5a,6,7,11,11a,12a-octahydro-1,3,5-trioxa-6,7,9,11-tetraaza-2lambda5-phosphatetracen-2-one 150829-29-1 [H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(NC(=N)N=C3O)N[C@]1([H])O2 InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1 CZAKJJUNKNPTTO-AJFJRRQVSA-N Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Pyranopterins and derivatives Aminopyrimidines and derivatives Azacyclic compounds Carbonyl hydrates Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides Organic oxides Organic phosphoric acids and derivatives Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary amines Pyrimidones Secondary alkylarylamines Vinylogous amides Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Carbonyl hydrate Heteroaromatic compound Hydrocarbon derivative Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary amine Pyranopterin Pyrimidine Pyrimidone Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide Aromatic heteropolycyclic compounds ketone hydrate organic heterotetracyclic compound organonitrogen heterocyclic compound oxacycle Detected and Not Quantified logp -2.9 logp -1.97 ALOGPS logs -1.60 ALOGPS solubility 9.05e+00 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 1.8 ChemAxon pka_strongest_basic 3.96 ChemAxon iupac (4aR,5aR,11aR,12aS)-2,10,12,12-tetrahydroxy-8-imino-4,4a,5a,6,7,8,11,11a,12,12a-decahydro-2H-1,3,5-trioxa-6,7,9,11-tetraaza-2lambda5-phosphatetracen-2-one ChemAxon average_mass 363.2206 ChemAxon mono_mass 363.057998961 ChemAxon smiles [H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(NC(=N)N=C3O)N[C@]1([H])O2 ChemAxon formula C10H14N5O8P ChemAxon inchi InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1 ChemAxon inchikey CZAKJJUNKNPTTO-AJFJRRQVSA-N ChemAxon polar_surface_area 197.98 ChemAxon refractivity 93.04 ChemAxon polarizability 29.91 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baebffa18> DB16628 135463437 BE0011005 BE0002204