2-[1-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfo-ethoxy]-1,3-bis(oxidanyl)propane-1-sulfonic acid

Systemtic Name: 2-[1-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfo-ethoxy]-1,3-bis(oxidanyl)propane-1-sulfonic acid Openeye Name: 2-[1-(6-aminopurin-9-yl)-2-hydroxy-2-sulfo-ethoxy]-1,3-dihydroxy-propane-1-sulfonic acid CAS Name: 2-[1-(6-aminopurin-9-yl)-2-hydroxy-2-sulfoethoxy]-1,3-dihydroxy-1-propanesulfonic acid IUPAC Name: 2-[1-(6-aminopurin-9-yl)-2-hydroxy-2-sulfoethoxy]-1,3-dihydroxypropane-1-sulfonic acid Traditional Name: 2-(1-adenin-9-yl-2-hydroxy-2-sulfo-ethoxy)-1,3-dihydroxy-propane-1-sulfonic acid Formula: C10H15N5O10S2 MolecularWeight: 429.3836

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(C(O)S(=O)(=O)O)OC(CO)C(O)S(=O)(=O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(C(O)S(=O)(=O)O)OC(CO)C(O)S(=O)(=O)O

InChI

InChI=1S/C10H15N5O10S2/c11-6-5-7(13-2-12-6)15(3-14-5)8(10(18)27(22,23)24)25-4(1-16)9(17)26(19,20)21/h2-4,8-10,16-18H,1H2,(H2,11,12,13)(H,19,20,21)(H,22,23,24)