1.0 2011-09-21 00:39:41 UTC 2015-07-21 06:57:59 UTC FDB024083 P1,P4-Bis(5'-uridyl) tetraphosphate P1,P4-Bis(5'-uridyl) tetraphosphate is involved in pyrimidine metabolism. It is a precurser for UTP. UTP is produced from P1,P4-Bis(5'-uridyl) tetraphosphate by the action of bis(5'-nucleosidyl)-tetraphosphatase [EC:3.6.1.17]. [HMDB] Diquafosol P1,P4-Bis(5'-uridyl) tetrahydrogen tetraate P1,P4-Bis(5'-uridyl) tetrahydrogen tetraic acid UppppU C18H26N4O23P4 790.3071 789.993829206 {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid diquafosol 59985-21-6 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 NMLMACJWHPHKGR-NCOIDOBVSA-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. (5'->5')-dinucleotides Organic compounds Nucleosides, nucleotides, and analogues (5'->5')-dinucleotides Aromatic heteromonocyclic compounds Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentose phosphates Pyrimidine ribonucleoside polyphosphates Pyrimidones Secondary alcohols Tetrahydrofurans Ureas Vinylogous amides (5'->5')-dinucleotide Alcohol Alkyl phosphate Aromatic heteromonocyclic compound Azacycle Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound 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 Pyrimidine Pyrimidine ribonucleoside polyphosphate Pyrimidone Secondary alcohol Tetrahydrofuran Urea Vinylogous amide pyrimidine ribonucleoside 5'-tetraphosphate uridine 5'-phosphate Solid logp 0.36 ALOGPS logs -1.76 ALOGPS solubility 1.39e+01 g/l ALOGPS logp -5.3 ChemAxon pka_strongest_acidic 0.59 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid ChemAxon average_mass 790.3071 ChemAxon mono_mass 789.993829206 ChemAxon smiles O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O ChemAxon formula C18H26N4O23P4 ChemAxon inchi InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 ChemAxon inchikey NMLMACJWHPHKGR-NCOIDOBVSA-N ChemAxon polar_surface_area 393.55 ChemAxon refractivity 144.84 ChemAxon polarizability 59.7 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 62247 Specdb::CMs 787118 Specdb::CMs 787119 Specdb::CMs 787120 Specdb::CMs 787121 Specdb::CMs 787122 Specdb::NmrOneD 91452 Specdb::NmrOneD 91453 Specdb::NmrOneD 91454 Specdb::NmrOneD 91455 Specdb::NmrOneD 91456 Specdb::NmrOneD 91457 Specdb::NmrOneD 91458 Specdb::NmrOneD 91459 Specdb::NmrOneD 91460 Specdb::NmrOneD 91461 Specdb::NmrOneD 91462 Specdb::NmrOneD 91463 Specdb::NmrOneD 91464 Specdb::NmrOneD 91465 Specdb::NmrOneD 91466 Specdb::NmrOneD 91467 Specdb::NmrOneD 91468 Specdb::NmrOneD 91469 Specdb::NmrOneD 91470 Specdb::NmrOneD 91471 Specdb::MsMs 307171 Specdb::MsMs 307172 Specdb::MsMs 307173 Specdb::MsMs 351046 Specdb::MsMs 351047 Specdb::MsMs 351048 Specdb::MsMs 2751583 Specdb::MsMs 2751584 Specdb::MsMs 2751585 Specdb::MsMs 2930463 Specdb::MsMs 2930464 Specdb::MsMs 2930465 HMDB06796 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823