1.0 2010-04-08 22:07:38 UTC 2019-11-26 03:01:41 UTC FDB007502 Adenosine diphosphate-D-ribose Adenosine diphosphate-d-ribose is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Adenosine diphosphate-d-ribose can be found in mung bean, which makes adenosine diphosphate-d-ribose a potential biomarker for the consumption of this food product. C15H23N5O14P2 559.3157 559.071673493 {[(2R,3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({hydroxy[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxyphosphoryl}oxy)phosphinic acid NC1=NC=NC2=C1N=CN2C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14?,15-/m1/s1 SRNWOUGRCWSEMX-MRUDJCSFSA-N belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group. Purine nucleotide sugars Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine nucleotide sugars Aromatic heteropolycyclic compounds 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Hemiacetals Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organic pyrophosphates Organopnictogen compounds Oxacyclic compounds Pentose phosphates Polyols Primary amines Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Secondary alcohols Tetrahydrofurans 6-aminopurine Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Hemiacetal 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 Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Primary amine Purine Purine nucleotide sugar Purine ribonucleoside diphosphate Purine ribonucleoside monophosphate Pyrimidine Secondary alcohol Tetrahydrofuran logp -1.80 ALOGPS logs -2.19 ALOGPS solubility 3.61e+00 g/l ALOGPS logp -6.7 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic 5 ChemAxon iupac {[(2R,3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid ChemAxon average_mass 559.3157 ChemAxon mono_mass 559.071673493 ChemAxon smiles NC1=NC=NC2=C1N=CN2C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O ChemAxon formula C15H23N5O14P2 ChemAxon inchi InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14?,15-/m1/s1 ChemAxon inchikey SRNWOUGRCWSEMX-MRUDJCSFSA-N ChemAxon polar_surface_area 291.52 ChemAxon refractivity 111.12 ChemAxon polarizability 46.75 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 99735 Specdb::MsMs 99736 Specdb::MsMs 99737 Specdb::MsMs 164919 Specdb::MsMs 164920 Specdb::MsMs 164921 Specdb::MsMs 3604076 Specdb::MsMs 3604077 Specdb::MsMs 3604078 Specdb::MsMs 3605425 Specdb::MsMs 3605426 Specdb::MsMs 3605427 Mung bean Type 1 specific Vigna radiata 157791