1.0 2016-09-30 22:54:40 UTC 2020-04-22 15:10:49 UTC BMDB0002367 BMDB02367 Solanesyl-PP Ditrans,hexacis-nonaprenyl diphosphate Ditrans,hexacis-nonaprenyl diphosphoric acid all-trans-Nonaprenyl diphosphate Solanesyl diphosphate Solanesyl pyrophosphate C45H76O7P2 791.0283 790.50662781 {[hydroxy({[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid solanesyl-PP 146340-00-3 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/COP(O)(=O)OP(O)(O)=O InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25-,41-27-,42-29-,43-31-,44-33-,45-35- IVLBHBFTRNVIAP-HUIBRQQWSA-N belongs to the class of organic compounds known as bactoprenol diphosphates. These are polyprenyl compounds consisting of a diphosphate group substituted by a bactoprenyl moiety. Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenols Bactoprenol diphosphates Hydrocarbon derivatives Isoprenoid phosphates Monoalkyl phosphates Organic oxides Organic pyrophosphates Organooxygen compounds Polyprenyl diphosphates Polyprenyl monophosphates Polyterpenoids Aliphatic acyclic compound Alkyl phosphate Bactoprenol diphosphate Hydrocarbon derivative Isoprenoid phosphate Monoalkyl phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organooxygen compound Phosphoric acid ester Polyprenyl diphosphate Polyprenyl monophosphate Polyterpenoid Aliphatic acyclic compounds Solid logp 8.35 ALOGPS logs -6.39 ALOGPS logp 13.58 ChemAxon pka_strongest_acidic 1.77 ChemAxon iupac {[hydroxy({[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 791.0283 ChemAxon mono_mass 790.50662781 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/COP(O)(=O)OP(O)(O)=O ChemAxon formula C45H76O7P2 ChemAxon inchi InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25-,41-27-,42-29-,43-31-,44-33-,45-35- ChemAxon inchikey IVLBHBFTRNVIAP-HUIBRQQWSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 239.55 ChemAxon polarizability 91.58 ChemAxon rotatable_bond_count 29 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 74130 Specdb::MsMs 319105 Specdb::MsMs 319106 Specdb::MsMs 319107 Specdb::MsMs 366094 Specdb::MsMs 366095 Specdb::MsMs 366096 Specdb::MsMs 2724215 Specdb::MsMs 2724216 Specdb::MsMs 2724217 Specdb::MsMs 2954913 Specdb::MsMs 2954914 Specdb::MsMs 2954915 FDB112206 13628341 21252289 C17438 6649