1.0 2020-03-10 17:02:09 UTC 2020-04-22 18:56:25 UTC BMDB0096158 BMDB96158 Thymidine glycol Thymidine glycol, (5R,6R)-isomer Thymidine glycol, (cis)-isomer Thymidine glycol, (trans)-isomer 5,6-Dihydro-5,6-dihydroxythymidine Glycolthymidine Thymidine glycol, (5R*,6S*)-isomer Thymidine glycol, (5R,6S)-isomer 5,6-Dihydroxy-5,6-dihydrothymidine Thymidine glycol, (5S,6R)-isomer Thymidine glycol, (5S,6S)-isomer Thymidine glycol C10H16N2O7 276.2432 276.095750876 4,5,6-trihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,5,6-tetrahydropyrimidin-2-one 4,5,6-trihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6H-pyrimidin-2-one 32645-65-1 CC1(O)C(O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1O InChI=1S/C10H16N2O7/c1-10(18)7(15)11-9(17)12(8(10)16)6-2-4(14)5(3-13)19-6/h4-6,8,13-14,16,18H,2-3H2,1H3,(H,11,15,17)/t4-,5+,6+,8?,10?/m0/s1 RKEITGVZZHXKON-SKAWGCAZSA-N belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. Pyrimidine 2'-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides Pyrimidine 2'-deoxyribonucleosides Alkanolamines Azacyclic compounds Barbituric acid derivatives Carbonyl compounds Diazinanes Dicarboximides Hydrocarbon derivatives N-acyl ureas Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans 1,3-diazinane Alcohol Aliphatic heteromonocyclic compound Alkanolamine Azacycle Barbiturate Carbonic acid derivative Carbonyl group Carboxylic acid derivative Dicarboximide Hydrocarbon derivative Monosaccharide N-acyl urea Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Pyrimidine Pyrimidine 2'-deoxyribonucleoside Pyrimidone Secondary alcohol Tertiary alcohol Tetrahydrofuran Urea Ureide Aliphatic heteromonocyclic compounds logp -2.20 ALOGPS logs -0.50 ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 1.77 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 4,5,6-trihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,5,6-tetrahydropyrimidin-2-one ChemAxon average_mass 276.2432 ChemAxon mono_mass 276.095750876 ChemAxon smiles CC1(O)C(O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1O ChemAxon formula C10H16N2O7 ChemAxon inchi InChI=1S/C10H16N2O7/c1-10(18)7(15)11-9(17)12(8(10)16)6-2-4(14)5(3-13)19-6/h4-6,8,13-14,16,18H,2-3H2,1H3,(H,11,15,17)/t4-,5+,6+,8?,10?/m0/s1 ChemAxon inchikey RKEITGVZZHXKON-SKAWGCAZSA-N ChemAxon polar_surface_area 143.05 ChemAxon refractivity 58.23 ChemAxon polarizability 24.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 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 Specdb::CMs 10544 Specdb::CMs 47660 Specdb::CMs 175387 Specdb::MsMs 289231 Specdb::MsMs 289232 Specdb::MsMs 289233 Specdb::MsMs 328600 Specdb::MsMs 328601 Specdb::MsMs 328602 Specdb::MsMs 2723936 Specdb::MsMs 2723937 Specdb::MsMs 2723938 Specdb::MsMs 2954670 Specdb::MsMs 2954671 Specdb::MsMs 2954672 Specdb::NmrOneD 51142 Specdb::NmrOneD 51143 Specdb::NmrOneD 51144 Specdb::NmrOneD 51145 Specdb::NmrOneD 51146 Specdb::NmrOneD 51147 Specdb::NmrOneD 51148 Specdb::NmrOneD 51149 Specdb::NmrOneD 51150 Specdb::NmrOneD 51151 Specdb::NmrOneD 51152 Specdb::NmrOneD 51153 Specdb::NmrOneD 51154 Specdb::NmrOneD 51155 Specdb::NmrOneD 51156 Specdb::NmrOneD 51157 Specdb::NmrOneD 51158 Specdb::NmrOneD 51159 Specdb::NmrOneD 51160 Specdb::NmrOneD 51161 2299366 174638 3035041 FDB111691