1.0 2016-09-30 22:46:55 UTC 2020-04-22 15:08:29 UTC BMDB0001507 BMDB01507 Diguanosine diphosphate Diguanosine diphosphoric acid Guanosine 5'-diphospho-5'-guanosine {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinate C20H26N10O15P2 708.426 708.105433236 {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid 34692-44-9 NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(43-17)1-41-46(37,38)45-47(39,40)42-2-6-10(32)12(34)18(44-6)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)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 LFEYGVXBDRXHGF-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 Organic pyrophosphates Organopnictogen compounds Oxacyclic compounds Pentose phosphates Primary amines Purine nucleotide sugars Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates 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 Organic pyrophosphate 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 diphosphate Purine ribonucleoside monophosphate Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Vinylogous amide Aromatic heteropolycyclic compounds Solid logp -1.27 ALOGPS logs -2.23 ALOGPS logp -4 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid ChemAxon average_mass 708.426 ChemAxon mono_mass 708.105433236 ChemAxon smiles NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O ChemAxon formula C20H26N10O15P2 ChemAxon inchi InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(43-17)1-41-46(37,38)45-47(39,40)42-2-6-10(32)12(34)18(44-6)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)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 ChemAxon inchikey LFEYGVXBDRXHGF-MHARETSRSA-N ChemAxon polar_surface_area 372.27 ChemAxon refractivity 146.34 ChemAxon polarizability 61.33 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 20 ChemAxon donor_count 10 ChemAxon physiological_charge 0 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 Specdb::MsMs 304057 Specdb::MsMs 304058 Specdb::MsMs 304059 Specdb::MsMs 347164 Specdb::MsMs 347165 Specdb::MsMs 347166 Specdb::MsMs 2794394 Specdb::MsMs 2794395 Specdb::MsMs 2794396 Specdb::MsMs 2883920 Specdb::MsMs 2883921 Specdb::MsMs 2883922 Specdb::NmrOneD 96298 Specdb::NmrOneD 96299 Specdb::NmrOneD 96300 Specdb::NmrOneD 96301 Specdb::NmrOneD 96302 Specdb::NmrOneD 96303 Specdb::NmrOneD 96304 Specdb::NmrOneD 96305 Specdb::NmrOneD 96306 Specdb::NmrOneD 96307 Specdb::NmrOneD 96308 Specdb::NmrOneD 96309 Specdb::NmrOneD 96310 Specdb::NmrOneD 96311 Specdb::NmrOneD 96312 Specdb::NmrOneD 96313 Specdb::NmrOneD 96314 Specdb::NmrOneD 96315 Specdb::NmrOneD 96316 Specdb::NmrOneD 96317 Specdb::CMs 64921 Specdb::CMs 753309 Specdb::CMs 753310 Specdb::CMs 753311 Specdb::CMs 753312 Specdb::CMs 753313 Specdb::CMs 753314 Specdb::CMs 753315 Specdb::CMs 753316 Specdb::CMs 753317 Specdb::CMs 753318 Specdb::CMs 753319 Specdb::CMs 753320 Specdb::CMs 753321 Specdb::CMs 753322 Specdb::CMs 753323 Specdb::CMs 753324 Specdb::CMs 753325 Specdb::CMs 753326 Specdb::CMs 753327 Specdb::CMs 753328 Specdb::CMs 753329 Specdb::CMs 753330 Specdb::CMs 753331 Specdb::CMs 753332 167649 193190 FDB022661 86S