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
logs
-2.15
solubility
6.99e+00 g/l
logp
-10
pka_strongest_acidic
0.28
pka_strongest_basic
5.3
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
polar_surface_area
527.03
refractivity
187.85
polarizability
76.38
rotatable_bond_count
18
acceptor_count
26
donor_count
12
physiological_charge
-6
formal_charge
0
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