1.0 2016-10-03 18:35:42 UTC 2020-04-22 15:49:32 UTC BMDB0012301 BMDB12301 UDP-D-apiose UDP-Apiose Uridine 5'-(alpha-D-apio-D-furanosyl pyrophosphate) [({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinate C14H22N2O16P2 536.2758 536.04445569 [({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid {[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy(hydroxy)phosphoryl}oxy([(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy)phosphinic acid 20230-91-5 OC[C@@]1(O)CO[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1O InChI=1S/C14H22N2O16P2/c17-4-14(23)5-28-12(10(14)21)31-34(26,27)32-33(24,25)29-3-6-8(19)9(20)11(30-6)16-2-1-7(18)15-13(16)22/h1-2,6,8-12,17,19-21,23H,3-5H2,(H,24,25)(H,26,27)(H,15,18,22)/t6-,8-,9-,10+,11-,12+,14-/m1/s1 SYVORCSTSYHSPN-VPPDZDBCSA-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 Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organic pyrophosphates Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentose phosphates Primary alcohols Pyrimidones Secondary alcohols Tertiary alcohols Tetrahydrofurans Ureas Vinylogous amides Alcohol Alkyl phosphate Aromatic heteromonocyclic compound Azacycle Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monoalkyl phosphate 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 Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Primary alcohol Pyrimidine Pyrimidine ribonucleoside diphosphate Pyrimidone Secondary alcohol Tertiary alcohol Tetrahydrofuran Urea Vinylogous amide Aromatic heteromonocyclic compounds Solid logp -0.70 ALOGPS logs -1.44 ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac [({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid ChemAxon average_mass 536.2758 ChemAxon mono_mass 536.04445569 ChemAxon smiles OC[C@@]1(O)CO[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1O ChemAxon formula C14H22N2O16P2 ChemAxon inchi InChI=1S/C14H22N2O16P2/c17-4-14(23)5-28-12(10(14)21)31-34(26,27)32-33(24,25)29-3-6-8(19)9(20)11(30-6)16-2-1-7(18)15-13(16)22/h1-2,6,8-12,17,19-21,23H,3-5H2,(H,24,25)(H,26,27)(H,15,18,22)/t6-,8-,9-,10+,11-,12+,14-/m1/s1 ChemAxon inchikey SYVORCSTSYHSPN-VPPDZDBCSA-N ChemAxon polar_surface_area 274.8 ChemAxon refractivity 101.03 ChemAxon polarizability 43.57 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 8 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 293515 Specdb::MsMs 293516 Specdb::MsMs 293517 Specdb::MsMs 333994 Specdb::MsMs 333995 Specdb::MsMs 333996 Specdb::MsMs 2432998 Specdb::MsMs 2432999 Specdb::MsMs 2433000 Specdb::MsMs 2502620 Specdb::MsMs 2502621 Specdb::MsMs 2502622 Specdb::NmrOneD 97138 Specdb::NmrOneD 97139 Specdb::NmrOneD 97140 Specdb::NmrOneD 97141 Specdb::NmrOneD 97142 Specdb::NmrOneD 97143 Specdb::NmrOneD 97144 Specdb::NmrOneD 97145 Specdb::NmrOneD 97146 Specdb::NmrOneD 97147 Specdb::NmrOneD 97148 Specdb::NmrOneD 97149 Specdb::NmrOneD 97150 Specdb::NmrOneD 97151 Specdb::NmrOneD 97152 Specdb::NmrOneD 97153 Specdb::NmrOneD 97154 Specdb::NmrOneD 97155 Specdb::NmrOneD 97156 Specdb::NmrOneD 97157 Specdb::CMs 12496 Specdb::CMs 39905 Specdb::CMs 250378 Specdb::CMs 250379 Specdb::CMs 250380 Specdb::CMs 250381 Specdb::CMs 250382 Specdb::CMs 250383 Specdb::CMs 250384 Specdb::CMs 250385 Specdb::CMs 250386 Specdb::CMs 250387 Specdb::CMs 250388 Specdb::CMs 250389 Specdb::CMs 250390 Specdb::CMs 250391 Specdb::CMs 250392 Specdb::CMs 250393 Specdb::CMs 250394 Specdb::CMs 250395 Specdb::CMs 250396 Specdb::CMs 250397 Specdb::CMs 250398 Specdb::CMs 250399 Specdb::CMs 250400 FDB028924 C01623 35032431 25202307 15933 UDP-APIOSE