[(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; benzene-1,2-disulfonic acid

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; benzene-1,2-disulfonic acid 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; benzene-1,2-disulfonic acid 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; benzene-1,2-disulfonic acid 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; benzene-1,2-disulfonic acid 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; benzene-1,2-disulfonic acid Formula: C21H29N6O11S3+ MolecularWeight: 637.68356

Click to see the large picture

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=CC=C(C(=C1)S(=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=CC=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H22N6O5S.C6H6O6S2/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;7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1-4H,(H,7,8,9)(H,10,11,12)/p+1/t7-,8+,10+,11+,14+,27?;/m0./s1