1.0 2016-09-30 22:38:48 UTC 2020-04-22 15:06:01 UTC BMDB0000934 BMDB00934 Uridine diphosphate acetylgalactosamine 4-sulfate Uridine diphosphate acetylgalactosamine 4-sulphate Uridine diphosphoric acid acetylgalactosamine 4-sulfuric acid Uridine diphosphoric acid acetylgalactosamine 4-sulphuric acid UDP Acetylgalactosamine-4-sulfate UDP Acetylgalactosamine-4-sulphate UDP-GalNAc-S UDP-N-Acetylgalactosamine 4-sulfate UDP-N-Acetylgalactosamine 4-sulphate UDP-N-Acetylgalactosamine-4-sulfate UDP-N-Acetylgalactosamine-4-sulphate Uridine diphosphate acetylgalactosamine-4-sulfate Uridine diphosphate acetylgalactosamine-4-sulphate Uridine diphosphate-N-acetylgalactosamine 4-sulfate Uridine diphosphate-N-acetylgalactosamine 4-sulphate [({[(2R,3S,4R,5R)-3-[({[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl]oxy}sulfonyl)oxy]-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonate [({[(2R,3S,4R,5R)-3-[({[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl]oxy}sulphonyl)oxy]-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonate [({[(2R,3S,4R,5R)-3-[({[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl]oxy}sulphonyl)oxy]-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid C17H27N3O20P2S 687.417 687.038384033 [({[(2R,3S,4R,5R)-3-[({[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl]oxy}sulfonyl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid {[(2R,3S,4R,5R)-3-({[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl]oxysulfonyl}oxy)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid 3863-56-7 CC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](OS(=O)(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O)[C@H](O)CO InChI=1S/C17H27N3O20P2S/c1-6(22)11(25)10(18)12(26)14(7(23)4-21)38-43(34,35)39-15-8(5-36-42(32,33)40-41(29,30)31)37-16(13(15)27)20-3-2-9(24)19-17(20)28/h2-3,7-8,10,12-16,21,23,26-27H,4-5,18H2,1H3,(H,32,33)(H,19,24,28)(H2,29,30,31)/t7-,8-,10+,12-,13-,14+,15-,16-/m1/s1 MVHRGUAARHOHCJ-JANKDUHBSA-N belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides Pyrimidine ribonucleoside diphosphates Alkyl sulfates Alpha-amino ketones Alpha-diketones Aminosaccharides Azacyclic compounds Beta-amino ketones Beta-hydroxy ketones Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Monoalkylamines Monosaccharide phosphates Organic oxides Organic pyrophosphates Organopnictogen compounds Oxacyclic compounds Pentose phosphates Polyols Primary alcohols Pyrimidones Secondary alcohols Sulfuric acid diesters Tetrahydrofurans Ureas Vinylogous amides Alcohol Alkyl phosphate Alkyl sulfate Alpha-aminoketone Alpha-diketone Amine Amino saccharide Aromatic heteromonocyclic compound Azacycle Beta-aminoketone Beta-hydroxy ketone Carbonyl group Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Ketone Lactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Primary alcohol Primary aliphatic amine Primary amine Pyrimidine Pyrimidine ribonucleoside diphosphate Pyrimidone Secondary alcohol Sulfuric acid diester Sulfuric acid ester Tetrahydrofuran Urea Vinylogous amide Aromatic heteromonocyclic compounds Solid logp -0.44 ALOGPS logs -1.58 ALOGPS logp -6.1 ChemAxon pka_strongest_acidic 1.77 ChemAxon pka_strongest_basic 6.43 ChemAxon iupac [({[(2R,3S,4R,5R)-3-[({[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl]oxy}sulfonyl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid ChemAxon average_mass 687.417 ChemAxon mono_mass 687.038384033 ChemAxon smiles CC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](OS(=O)(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O)[C@H](O)CO ChemAxon formula C17H27N3O20P2S ChemAxon inchi InChI=1S/C17H27N3O20P2S/c1-6(22)11(25)10(18)12(26)14(7(23)4-21)38-43(34,35)39-15-8(5-36-42(32,33)40-41(29,30)31)37-16(13(15)27)20-3-2-9(24)19-17(20)28/h2-3,7-8,10,12-16,21,23,26-27H,4-5,18H2,1H3,(H,32,33)(H,19,24,28)(H2,29,30,31)/t7-,8-,10+,12-,13-,14+,15-,16-/m1/s1 ChemAxon inchikey MVHRGUAARHOHCJ-JANKDUHBSA-N ChemAxon polar_surface_area 365.61 ChemAxon refractivity 129.35 ChemAxon polarizability 55.61 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 17 ChemAxon donor_count 9 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 19401 Specdb::CMs 733502 Specdb::CMs 733503 Specdb::CMs 733504 Specdb::CMs 733505 Specdb::CMs 733506 Specdb::CMs 733507 Specdb::CMs 733508 Specdb::CMs 733509 Specdb::CMs 733510 Specdb::CMs 733511 Specdb::CMs 733512 Specdb::CMs 733513 Specdb::CMs 733514 Specdb::CMs 733515 Specdb::CMs 733516 Specdb::CMs 733517 Specdb::CMs 733518 Specdb::CMs 733519 Specdb::CMs 733520 Specdb::CMs 733521 Specdb::CMs 733522 Specdb::CMs 733523 Specdb::CMs 733524 Specdb::CMs 733525 Specdb::MsMs 309106 Specdb::MsMs 309107 Specdb::MsMs 309108 Specdb::MsMs 353449 Specdb::MsMs 353450 Specdb::MsMs 353451 Specdb::MsMs 2730661 Specdb::MsMs 2730662 Specdb::MsMs 2730663 Specdb::MsMs 2975006 Specdb::MsMs 2975007 Specdb::MsMs 2975008 Specdb::NmrOneD 145830 Specdb::NmrOneD 145831 Specdb::NmrOneD 145832 Specdb::NmrOneD 145833 Specdb::NmrOneD 145834 Specdb::NmrOneD 145835 Specdb::NmrOneD 145836 Specdb::NmrOneD 145837 Specdb::NmrOneD 145838 Specdb::NmrOneD 145839 Specdb::NmrOneD 145840 Specdb::NmrOneD 145841 Specdb::NmrOneD 145842 Specdb::NmrOneD 145843 Specdb::NmrOneD 145844 Specdb::NmrOneD 145845 Specdb::NmrOneD 145846 Specdb::NmrOneD 145847 Specdb::NmrOneD 145848 Specdb::NmrOneD 145849 C04426 FDB022324 17216024 22833553 5883 Leznicki, Antoni J.; Bialkowski, Karol. Improved high-performance liquid chromatographic method for N-acetylgalactosamine-4-sulfate sulfatase (arylsulfatase B) activity determination using uridine diphospho-N-acetylgalactosamine-4-sulfate. Journal of Chromatography, B: Biomedical Sciences and Applications (1997), 696(2), 193-202.