magnesium; (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-sulfonio]-2-azanyl-butanoate; hydrogen sulfate; hydrate

Systemtic Name: magnesium; (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-sulfonio]-2-azanyl-butanoate; hydrogen sulfate; hydrate Openeye Name: magnesium; (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate; hydrogen sulfate; hydrate CAS Name: magnesium; (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-methylsulfonio]butanoate; hydrogen sulfate; hydrate IUPAC Name: magnesium; (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate; hydrogen sulfate; hydrate Traditional Name: magnesium (2S)-4-[[(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]-2-amino-butyrate dibisulfate hydrate Formula: C15H26MgN6O14S3 MolecularWeight: 634.89874

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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.O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].[Mg+2]

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.O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].[Mg+2]

InChI

InChI=1S/C15H22N6O5S.Mg.2H2O4S.H2O/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;;2*1-5(2,3)4;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);;2*(H2,1,2,3,4);1H2/q;+2;;;/p-2/t7-,8+,10+,11+,14+,27?;;;;/m0..../s1