1.0 2016-09-30 22:44:23 UTC 2020-05-21 16:28:52 UTC BMDB0001340 BMDB01340 Diguanosine tetraphosphate (PPG)2 Bis(5'-guanosyl) tetraphosphate Bis(guanylyl) diphosphate g(5')P4(5')g GP4g GPPPPG Guanosine(5')tetraphospho(5')guanosine P1,P4-Bis(5'-guanosyl) tetraphosphate Bis(5'-guanosyl) tetraphosphoric acid Bis(guanylyl) diphosphoric acid P1,P4-Bis(5'-guanosyl) tetraphosphoric acid Diguanosine tetraphosphoric acid [5-(2-Amino-6-hydroxy-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[[[5-(2-amino-6-hydroxy-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid C20H28N10O21P4 868.3858 868.038094056 {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid diguanosine tetraphosphate 4130-19-2 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1 InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 OLGWXCQXRSSQPO-MHARETSRSA-N belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage. Organic compounds Nucleosides, nucleotides, and analogues (5'->5')-dinucleotides (5'->5')-dinucleotides 6-oxopurines Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organopnictogen compounds Oxacyclic compounds Pentose phosphates Primary amines Purine nucleotide sugars Purine ribonucleoside monophosphates Purine ribonucleoside polyphosphates Pyrimidones Secondary alcohols Tetrahydrofurans Vinylogous amides (5'->5')-dinucleotide 6-oxopurine Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Imidazopyrimidine 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 Primary amine Purine Purine nucleotide sugar Purine ribonucleoside monophosphate Purine ribonucleoside polyphosphate Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Vinylogous amide Aromatic heteropolycyclic compounds guanosine 5'-phosphate purine ribonucleoside 5'-tetraphosphate Solid logp -0.18 ALOGPS logs -1.90 ALOGPS logp -5.9 ChemAxon pka_strongest_acidic 0.5 ChemAxon pka_strongest_basic 1.6 ChemAxon iupac {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid ChemAxon average_mass 868.3858 ChemAxon mono_mass 868.038094056 ChemAxon smiles NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1 ChemAxon formula C20H28N10O21P4 ChemAxon inchi InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 ChemAxon inchikey OLGWXCQXRSSQPO-MHARETSRSA-N ChemAxon polar_surface_area 465.33 ChemAxon refractivity 168.95 ChemAxon polarizability 68.35 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 22 ChemAxon donor_count 12 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon number_of_rings 6 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Purine Metabolism SMP0087239 Specdb::EiMs 3097 Specdb::MsMs 23387 Specdb::MsMs 23388 Specdb::MsMs 23389 Specdb::MsMs 30185 Specdb::MsMs 30186 Specdb::MsMs 30187 Specdb::MsMs 2327058 Specdb::MsMs 2327059 Specdb::MsMs 2327060 Specdb::MsMs 2612005 Specdb::MsMs 2612006 Specdb::MsMs 2612007 Specdb::NmrOneD 333138 Specdb::NmrOneD 333139 Specdb::NmrOneD 333140 Specdb::NmrOneD 333141 Specdb::NmrOneD 333142 Specdb::NmrOneD 333143 Specdb::NmrOneD 333144 Specdb::NmrOneD 333145 Specdb::NmrOneD 333146 Specdb::NmrOneD 333147 Specdb::NmrOneD 333148 Specdb::NmrOneD 333149 Specdb::NmrOneD 333150 Specdb::NmrOneD 333151 Specdb::NmrOneD 333152 Specdb::NmrOneD 333153 Specdb::NmrOneD 333154 Specdb::NmrOneD 333155 Specdb::NmrOneD 333156 Specdb::NmrOneD 333157 C01261 144813 FDB031082 15883 165186 4175 BMDBP02933 Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] Q29RJ1 NUDT2 Enzyme