2.0 2015-07-13 12:06:32 -0600 2015-08-05 16:22:05 -0600 ECMDB23988 M2MDB006109 alpha-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol A polyprenyl glucosyl phosphate in which a glucosyl residue is linked to a undecaprenyl group via a diphospho group a-D-Glucopyranosyl-diphospho-di-trans,poly-cis-undecaprenol a-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol a-D-Glucosyl di-trans,poly-cis-undecaprenyl diphosphate a-D-Glucosyl di-trans,poly-cis-undecaprenyl diphosphoric acid alpha-D-Glucopyranosyl-diphospho-di-trans,poly-cis-undecaprenol alpha-D-Glucosyl di-trans,poly-cis-undecaprenyl diphosphate alpha-D-Glucosyl di-trans,poly-cis-undecaprenyl diphosphoric acid α-D-glucopyranosyl-diphospho-di-trans,poly-cis-undecaprenol α-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol α-D-glucosyl di-trans,poly-cis-undecaprenyl diphosphate α-D-glucosyl di-trans,poly-cis-undecaprenyl diphosphoric acid C61H102O12P2 1089.423 1088.68465272 {[hydroxy({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphoryl]oxy}({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid {hydroxy[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxyphosphoryl}oxy[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphinic acid CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60-,61-/m1/s1 WADQQVAMGZIDFQ-ZMDJJFASSA-N logp 8.30 ALOGPS logs -6.29 ALOGPS solubility 5.58e-04 g/l ALOGPS logp 14.86 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic -3 ChemAxon iupac {[hydroxy({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphoryl]oxy}({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid ChemAxon average_mass 1089.423 ChemAxon mono_mass 1088.68465272 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChemAxon formula C61H102O12P2 ChemAxon inchi InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60-,61-/m1/s1 ChemAxon inchikey WADQQVAMGZIDFQ-ZMDJJFASSA-N ChemAxon polar_surface_area 192.44 ChemAxon refractivity 319.3 ChemAxon polarizability 126.08 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 41294 Specdb::MsMs 41295 Specdb::MsMs 41296 Specdb::MsMs 42002 Specdb::MsMs 42003 Specdb::MsMs 42004 C19772 UDP-Glucose + Di-trans,poly-cis-undecaprenyl phosphate <> Uridine 5'-monophosphate + alpha-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol R09641