Products 101020-79-5

CAS 101020-79-5 appears in our catalog under these names: Ademethionine 1,4-Butanedisulfonate, >95% (HPLC), S-Adenosylmethione-1,4-butanedisulfonate, SAMe-1,4-Butanedisulfonate 95%, SAMe-1,4-Butanedisulfonate, 98%, 98%, SAMe-1,4-Butanedisulfonate, 98.03%. Offered by: TRC, Biosynth, Ambeed, Chemat, MedChemExpress. Available pack sizes: 100mg, 10mg, 500mg, 0,025kg, 0,01kg, 0,05kg, 0,25kg, 0,1kg.

Structural formula: {0} (CAS {1})

Bis([(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium);butane-1,4-disulfonate;bis(butane-1,4-disulfonic acid) (CAS 101020-79-5) is a chemical compound with the molecular formula C42H74N12O28S8 and a molecular weight of 1451.6 g/mol. IUPAC name: bis([(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium);butane-1,4-disulfonate;bis(butane-1,4-disulfonic acid). InChIKey: QWARKYOPJRNOOU-RLUFNZFXSA-N.

Identity
Molecular formulaC42H74N12O28S8
Molecular weight1451.6 g/mol
IUPAC namebis([(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium);butane-1,4-disulfonate;bis(butane-1,4-disulfonic acid)
InChIKeyQWARKYOPJRNOOU-RLUFNZFXSA-N
SMILESC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O.C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-]

Computed by PubChem (NCBI)