potassium 2-[2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol octasulfate

Systemtic Name: potassium 2-[2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol octasulfate Openeye Name: potassium 2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol octasulfate CAS Name: potassium 2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol octasulfate IUPAC Name: potassium 2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol octasulfate Traditional Name: potassium 2-(3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl)oxy-6-methylol-tetrahydropyran-3,4,5-triol octasulfate Formula: C12H22KO43S8-15 MolecularWeight: 1149.89558

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[K+]

Isomeric SMILES

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C12H22O11.K.8H2O4S/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;;8*1-5(2,3)4/h4-11,13-20H,1-3H2;;8*(H2,1,2,3,4)/q;+1;;;;;;;;/p-16