2.0 2015-09-08 17:48:54 -0600 2016-09-13 16:35:34 -0600 ECMDB24064 M2MDB006181 Diadenosine hexaphosphate Diadenosine hexaphosphoric acid {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid AppppppA logp 0.26 ALOGPS logs -2.15 ALOGPS solubility 6.99e+00 g/l ALOGPS logp -10 ChemAxon pka_strongest_acidic 0.28 ChemAxon pka_strongest_basic 5.3 ChemAxon iupac {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid ChemAxon polar_surface_area 527.03 ChemAxon refractivity 187.85 ChemAxon polarizability 76.38 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 26 ChemAxon donor_count 12 ChemAxon physiological_charge -6 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 9102 Specdb::NmrOneD 9103 Specdb::NmrOneD 9104 Specdb::NmrOneD 9105 Specdb::NmrOneD 9106 Specdb::NmrOneD 9107 Specdb::NmrOneD 9108 Specdb::NmrOneD 9109 Specdb::NmrOneD 9110 Specdb::NmrOneD 9111 Specdb::NmrOneD 9112 Specdb::NmrOneD 9113 Specdb::NmrOneD 9114 Specdb::NmrOneD 9115 Specdb::NmrOneD 9116 Specdb::NmrOneD 9117 Specdb::NmrOneD 9118 Specdb::NmrOneD 9119 Specdb::NmrOneD 9120 Specdb::NmrOneD 9121 Specdb::MsMs 25322 Specdb::MsMs 25323 Specdb::MsMs 25324 Specdb::MsMs 31880 Specdb::MsMs 31881 Specdb::MsMs 31882 Specdb::MsMs 2421213 Specdb::MsMs 2421214 Specdb::MsMs 2421215 Specdb::MsMs 2544814 Specdb::MsMs 2544815 Specdb::MsMs 2544816