1.0 2016-09-30 22:45:31 UTC 2020-05-21 16:29:02 UTC BMDB0001409 BMDB01409 dUMP 2'-Deoxyuridine 5'-monophosphate 2'-Deoxyuridine 5'-phosphate Deoxyuridine 5'-phosphate Deoxyuridine monophosphate Deoxyuridylate Deoxyuridylic acid 2'-Deoxyuridine 5'-monophosphoric acid 2'-Deoxyuridine 5'-phosphoric acid Deoxyuridine 5'-phosphoric acid Deoxyuridine monophosphoric acid 2'-Deoxy-5'-uridylate 2'-Deoxy-5'-uridylic acid 2'-Deoxyuridylate 2'-Deoxyuridylic acid Deoxy-UMP Deoxyuridine 5'-monophosphate 2'-Deoxyuridine-5'-monophosphate 2'-Deoxyuridylic acid, disodium salt C9H13N2O8P 308.1819 308.040951914 {[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid 2'-deoxyuridylic acid 964-26-1 O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 JSRLJPSBLDHEIO-SHYZEUOFSA-N belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine deoxyribonucleotides Pyrimidine 2'-deoxyribonucleoside monophosphates Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Hydroxypyrimidines Monoalkyl phosphates Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyrimidones Secondary alcohols Tetrahydrofurans Alcohol Alkyl phosphate Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Hydroxypyrimidine Monoalkyl phosphate Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phosphoric acid ester Pyrimidine Pyrimidine 2'-deoxyribonucleoside monophosphate Pyrimidone Secondary alcohol Tetrahydrofuran Aromatic heteromonocyclic compounds Deoxyribonucleotides deoxyuridine phosphate pyrimidine 2'-deoxyribonucleoside 5'-monophosphate Solid logp -1.42 ALOGPS logs -1.59 ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 1.23 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac {[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 308.1819 ChemAxon mono_mass 308.040951914 ChemAxon smiles O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O ChemAxon formula C9H13N2O8P ChemAxon inchi InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 ChemAxon inchikey JSRLJPSBLDHEIO-SHYZEUOFSA-N ChemAxon polar_surface_area 145.63 ChemAxon refractivity 61.93 ChemAxon polarizability 25.86 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Pyrimidine Metabolism SMP0087247 Specdb::NmrTwoD 1642 Specdb::CMs 2436 Specdb::CMs 38059 Specdb::CMs 137674 Specdb::CMs 145408 Specdb::NmrOneD 1701 Specdb::NmrOneD 95958 Specdb::NmrOneD 95959 Specdb::NmrOneD 95960 Specdb::NmrOneD 95961 Specdb::NmrOneD 95962 Specdb::NmrOneD 95963 Specdb::NmrOneD 95964 Specdb::NmrOneD 95965 Specdb::NmrOneD 95966 Specdb::NmrOneD 95967 Specdb::NmrOneD 95968 Specdb::NmrOneD 95969 Specdb::NmrOneD 95970 Specdb::NmrOneD 95971 Specdb::NmrOneD 95972 Specdb::NmrOneD 95973 Specdb::NmrOneD 95974 Specdb::NmrOneD 95975 Specdb::NmrOneD 95976 Specdb::NmrOneD 95977 Specdb::MsMs 1562 Specdb::MsMs 1563 Specdb::MsMs 1564 Specdb::MsMs 5285 Specdb::MsMs 178140 Specdb::MsMs 178141 Specdb::MsMs 178142 Specdb::MsMs 180456 Specdb::MsMs 180457 Specdb::MsMs 180458 Specdb::MsMs 439046 Specdb::MsMs 1470864 Specdb::MsMs 1470900 Specdb::MsMs 1470901 Specdb::MsMs 1470902 Specdb::MsMs 2236310 Specdb::MsMs 2237054 Specdb::MsMs 2238477 Specdb::MsMs 2239122 Specdb::MsMs 2240567 Specdb::MsMs 2241119 Specdb::MsMs 2242636 Specdb::MsMs 2243238 Specdb::MsMs 2244330 Specdb::MsMs 2245759 C00365 FDB022604 DB03800 58574 65063 17622 C00019282 DUMP 34762 Deoxyuridine_monophosphate 6225 BMDBP00536 Thymidylate synthase Q2TA32 TYMS Enzyme BMDBP02425 DCTD protein A6QQC3 DCTD Enzyme BMDBP02976 Deoxyuridine triphosphatase Q2NKU1 DUT Enzyme BMDBP03197 Thymidine kinase, cytosolic A5D7R8 TK1 Enzyme