1.0 2016-09-30 23:21:47 UTC 2020-04-22 15:17:22 UTC BMDB0006354 BMDB06354 Deoxythymidine diphosphate-l-rhamnose Thymidine 5'-(trihydrogen diphosphate), p'-(6-deoxy-beta-L-mannopyranosyl) ester Thymidine diphosphate rhamnose Thymidine diphosphate-L-rhamnose Thymidine 5'-(trihydrogen diphosphate), p'-(6-deoxy-b-L-mannopyranosyl) ester Thymidine 5'-(trihydrogen diphosphate), p'-(6-deoxy-β-L-mannopyranosyl) ester Thymidine 5'-(trihydrogen diphosphoric acid), p'-(6-deoxy-b-L-mannopyranosyl) ester Thymidine 5'-(trihydrogen diphosphoric acid), p'-(6-deoxy-beta-L-mannopyranosyl) ester Thymidine 5'-(trihydrogen diphosphoric acid), p'-(6-deoxy-β-L-mannopyranosyl) ester Thymidine diphosphoric acid rhamnose Thymidine diphosphoric acid-L-rhamnose Deoxythymidine diphosphoric acid-L-rhamnose dTDP-6-Deoxy-L-mannose dTDP-L-Rhamnose C16H26N2O15P2 548.3296 548.080841196 {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}({[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphinic acid dtdp-L-rhamnose 2147-59-3 C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15?/m0/s1 ZOSQFDVXNQFKBY-CZRCVJRHSA-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 Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organic pyrophosphates Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Pentose phosphates Polyols Pyrimidine 2'-deoxyribonucleoside diphosphates Pyrimidones Secondary alcohols Tetrahydrofurans Ureas Vinylogous amides Alcohol Alkyl phosphate Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate 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 Phosphoric acid ester Polyol Pyrimidine Pyrimidine 2'-deoxyribonucleoside diphosphate Pyrimidine nucleotide sugar Pyrimidone Secondary alcohol Tetrahydrofuran Urea Vinylogous amide Aromatic heteromonocyclic compounds dTDP-rhamnose Solid logp -1.09 ALOGPS logs -1.68 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}({[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphinic acid ChemAxon average_mass 548.3296 ChemAxon mono_mass 548.080841196 ChemAxon smiles C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O ChemAxon formula C16H26N2O15P2 ChemAxon inchi InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15?/m0/s1 ChemAxon inchikey ZOSQFDVXNQFKBY-CZRCVJRHSA-N ChemAxon polar_surface_area 251.08 ChemAxon refractivity 107.76 ChemAxon polarizability 46.26 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge -2 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::MsMs 26108 Specdb::MsMs 26109 Specdb::MsMs 26110 Specdb::MsMs 32666 Specdb::MsMs 32667 Specdb::MsMs 32668 Specdb::CMs 16117 Specdb::CMs 39007 Specdb::NmrOneD 255248 Specdb::NmrOneD 255249 Specdb::NmrOneD 255250 Specdb::NmrOneD 255251 Specdb::NmrOneD 255252 Specdb::NmrOneD 255253 Specdb::NmrOneD 255254 Specdb::NmrOneD 255255 Specdb::NmrOneD 255256 Specdb::NmrOneD 255257 Specdb::NmrOneD 255258 Specdb::NmrOneD 255259 Specdb::NmrOneD 255260 Specdb::NmrOneD 255261 Specdb::NmrOneD 255262 Specdb::NmrOneD 255263 Specdb::NmrOneD 255264 Specdb::NmrOneD 255265 Specdb::NmrOneD 255266 Specdb::NmrOneD 255267 FDB023902 388998 439975 C03319 35452 DTDP-RHAMNOSE 41621 Shibaev, V. N.; Kusov, Yu. Yu.; Eliseeva, G. I.; Petrenko, V. A. Synthesis of thymidine diphosphate rhamnose analogs. Ref. Dokl. Soobshch. - Mendeleevsk. S'ezd Obshch. Prikl. Khim., 11th (1975), 6 111. CODEN: 37MOAO CAN 88:191313 AN 1978:191313