[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-methyl-sulfanium; 4,5-bis(oxidanyl)benzene-1,3-disulfonic acid; sulfate

Systemtic Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-methyl-sulfanium; 4,5-bis(oxidanyl)benzene-1,3-disulfonic acid; sulfate Openeye Name: [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; 4,5-dihydroxybenzene-1,3-disulfonic acid; sulfate CAS Name: [(3S)-3-amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-methylsulfonium; 4,5-dihydroxybenzene-1,3-disulfonic acid; sulfate IUPAC Name: [(3S)-3-amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium; 4,5-dihydroxybenzene-1,3-disulfonic acid; sulfate Traditional Name: [(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[(3S)-3-amino-4-hydroxy-4-keto-butyl]-methyl-sulfonium; 4,5-dihydroxybenzene-1,3-disulfonic acid; sulfate Formula: C21H29N6O17S4- MolecularWeight: 765.74496

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H22N6O5S.C6H6O8S2.H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1-2,7-8H,(H,9,10,11)(H,12,13,14);(H2,1,2,3,4)/p-1/t7-,8+,10+,11+,14+,27?;;/m0../s1