2.0 2015-09-08 17:49:38 -0600 2015-09-08 17:49:38 -0600 ECMDB24139 M2MDB006256 Ribose-1-arsenate Ribose-1-arsenic acid C5H11AsO8 274.0576 273.966988745 {[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}arsonic acid [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid OCC1OC(O[As](O)(O)=O)C(O)C1O InChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12) RYJJOMQPAAUFBF-UHFFFAOYSA-N logp -1.94 ALOGPS logs -0.33 ALOGPS solubility 1.28e+02 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 2.84 ChemAxon pka_strongest_basic -3 ChemAxon iupac {[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}arsonic acid ChemAxon average_mass 274.0576 ChemAxon mono_mass 273.966988745 ChemAxon smiles OCC1OC(O[As](O)(O)=O)C(O)C1O ChemAxon formula C5H11AsO8 ChemAxon inchi InChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12) ChemAxon inchikey RYJJOMQPAAUFBF-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 35.32 ChemAxon polarizability 19.5 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15000 Specdb::CMs 39900 Specdb::CMs 131413 Specdb::CMs 139147 Specdb::NmrOneD 11682 Specdb::NmrOneD 11683 Specdb::NmrOneD 11684 Specdb::NmrOneD 11685 Specdb::NmrOneD 11686 Specdb::NmrOneD 11687 Specdb::NmrOneD 11688 Specdb::NmrOneD 11689 Specdb::NmrOneD 11690 Specdb::NmrOneD 11691 Specdb::NmrOneD 11692 Specdb::NmrOneD 11693 Specdb::NmrOneD 11694 Specdb::NmrOneD 11695 Specdb::NmrOneD 11696 Specdb::NmrOneD 11697 Specdb::NmrOneD 11698 Specdb::NmrOneD 11699 Specdb::NmrOneD 11700 Specdb::NmrOneD 11701 Specdb::MsMs 28679 Specdb::MsMs 28680 Specdb::MsMs 28681 Specdb::MsMs 35237 Specdb::MsMs 35238 Specdb::MsMs 35239 Specdb::MsMs 2374137 Specdb::MsMs 2374138 Specdb::MsMs 2374139 Specdb::MsMs 2565117 Specdb::MsMs 2565118 Specdb::MsMs 2565119