1.0 2016-10-03 18:35:46 UTC 2020-04-22 15:49:33 UTC BMDB0012304 BMDB12304 UDP-L-iduronate UDP-L-Iduronic acid UDP-Glucuronic acid UDP-b-L-Iduronate UDP-b-L-Iduronic acid UDP-beta-L-Iduronate UDP-Β-L-iduronate UDP-Β-L-iduronic acid C15H22N2O18P2 580.2853 580.034284934 (2R,3S,4S,5R,6R)-6-({[({[(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)-3,4,5-trihydroxyoxane-2-carboxylic acid (2R,3S,4S,5R,6R)-6-[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11-,12-,14-/m1/s1 HDYANYHVCAPMJV-NTWGTYGRSA-N belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine nucleotide sugars Pyrimidine nucleotide sugars Azacyclic compounds Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Glucuronic acid derivatives Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharide phosphates Organic oxides Organic pyrophosphates Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Pentose phosphates Polyols Pyrans Pyrimidine ribonucleoside diphosphates Pyrimidones Secondary alcohols Tetrahydrofurans Ureas Vinylogous amides Alcohol Alkyl phosphate Aromatic heteromonocyclic compound Azacycle Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Hydroxy acid Lactam Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide Monosaccharide phosphate N-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Pyran Pyrimidine Pyrimidine nucleotide sugar Pyrimidine ribonucleoside diphosphate Pyrimidone Secondary alcohol Tetrahydrofuran Urea Vinylogous amide Aromatic heteromonocyclic compounds Solid logp -1.21 ALOGPS logs -1.51 ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 1.72 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2R,3S,4S,5R,6R)-6-({[({[(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)-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 580.2853 ChemAxon mono_mass 580.034284934 ChemAxon smiles O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O ChemAxon formula C15H22N2O18P2 ChemAxon inchi InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11-,12-,14-/m1/s1 ChemAxon inchikey HDYANYHVCAPMJV-NTWGTYGRSA-N ChemAxon polar_surface_area 308.61 ChemAxon refractivity 106.32 ChemAxon polarizability 45.14 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18870 Specdb::CMs 39908 Specdb::CMs 282534 Specdb::CMs 392486 Specdb::CMs 392487 Specdb::CMs 392488 Specdb::CMs 392489 Specdb::CMs 392490 Specdb::CMs 392491 Specdb::CMs 392492 Specdb::CMs 392493 Specdb::CMs 392494 Specdb::CMs 392495 Specdb::CMs 392496 Specdb::CMs 392497 Specdb::CMs 392498 Specdb::CMs 392499 Specdb::CMs 392500 Specdb::CMs 392501 Specdb::CMs 392502 Specdb::CMs 392503 Specdb::CMs 392504 Specdb::CMs 392505 Specdb::CMs 392506 Specdb::CMs 392507 Specdb::MsMs 307909 Specdb::MsMs 307910 Specdb::MsMs 307911 Specdb::MsMs 351961 Specdb::MsMs 351962 Specdb::MsMs 351963 Specdb::MsMs 2283007 Specdb::MsMs 2283008 Specdb::MsMs 2283009 Specdb::MsMs 3085240 Specdb::MsMs 3085241 Specdb::MsMs 3085242 Specdb::NmrOneD 97198 Specdb::NmrOneD 97199 Specdb::NmrOneD 97200 Specdb::NmrOneD 97201 Specdb::NmrOneD 97202 Specdb::NmrOneD 97203 Specdb::NmrOneD 97204 Specdb::NmrOneD 97205 Specdb::NmrOneD 97206 Specdb::NmrOneD 97207 Specdb::NmrOneD 97208 Specdb::NmrOneD 97209 Specdb::NmrOneD 97210 Specdb::NmrOneD 97211 Specdb::NmrOneD 97212 Specdb::NmrOneD 97213 Specdb::NmrOneD 97214 Specdb::NmrOneD 97215 Specdb::NmrOneD 97216 Specdb::NmrOneD 97217 FDB028927 C02330 30791427 15592259 88243 CPD-223