2.0 2012-11-06 04:55:28 -0700 2015-06-03 17:27:29 -0600 ECMDB23729 M2MDB004119 Guanosine-3'-diphosphate 5'-phosphate Guanosine-3'-diphosphate 5'-phosphate (also known as Guanosine 3'-diphosphate 5'-monophosphate) has been postulated to have pleiotypic regulatory properties in prokaryotes during the stringent response. (PMID: 6389553) 5'-phosphoguanosine-3'-diphosphate 5'-Phosphoguanosine-3'-diphosphoric acid Guanosine 5'-(dihydrogen phosphate) 3'-(trihydrogen diphosphate) Guanosine 5'-(dihydrogen phosphoric acid) 3'-(trihydrogen diphosphoric acid) Guanosine-3'-diphosphoric acid 5'-phosphoric acid [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] phosphono hydrogen phosphate [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-Purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] phosphono hydrogen phosphoric acid C10H16N5O14P3 523.1804 522.990659781 {[hydroxy({[(2R,3S,4R,5R)-4-hydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy})phosphoryl]oxy}phosphonic acid {hydroxy[(2R,3S,4R,5R)-4-hydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxyphosphoryl}oxyphosphonic acid [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])OP(O)(=O)OP(O)(O)=O InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(3(27-9)1-26-30(18,19)20)28-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 NLQLQMLFCFBXQO-UUOKFMHZSA-N logp -1.12 ALOGPS logs -1.86 ALOGPS solubility 7.25e+00 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.11 ChemAxon pka_strongest_basic 4.92 ChemAxon iupac {[hydroxy({[(2R,3S,4R,5R)-4-hydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 523.1804 ChemAxon mono_mass 522.990659781 ChemAxon smiles [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])OP(O)(=O)OP(O)(O)=O ChemAxon formula C10H16N5O14P3 ChemAxon inchi InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(3(27-9)1-26-30(18,19)20)28-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 ChemAxon inchikey NLQLQMLFCFBXQO-UUOKFMHZSA-N ChemAxon polar_surface_area 295.8 ChemAxon refractivity 107.82 ChemAxon polarizability 39.89 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1083643 Specdb::EiMs 3366 Specdb::NmrOneD 258728 Specdb::NmrOneD 258729 Specdb::NmrOneD 258730 Specdb::NmrOneD 258731 Specdb::NmrOneD 258732 Specdb::NmrOneD 258733 Specdb::NmrOneD 258734 Specdb::NmrOneD 258735 Specdb::NmrOneD 258736 Specdb::NmrOneD 258737 Specdb::NmrOneD 258738 Specdb::NmrOneD 258739 Specdb::NmrOneD 258740 Specdb::NmrOneD 258741 Specdb::NmrOneD 258742 Specdb::NmrOneD 258743 Specdb::NmrOneD 258744 Specdb::NmrOneD 258745 Specdb::NmrOneD 258746 Specdb::NmrOneD 258747 Specdb::MsMs 26336 Specdb::MsMs 26337 Specdb::MsMs 26338 Specdb::MsMs 32894 Specdb::MsMs 32895 Specdb::MsMs 32896 25245407 53011