101020-79-5 | SAMe-1，4-Butanedisulfonate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$13.00	$9.00
1g	95%	in stock	$33.00	$23.00
5g	95%	in stock	$102.00	$71.00
10g	95%	in stock	$141.00	$99.00
25g	95%	in stock	$254.00	$178.00

Description

• Catalog Number: AI67798
• Chemical Name: SAMe-1，4-Butanedisulfonate
• CAS Number: 101020-79-5
• Molecular Formula: C42H74N12O28S8
• Molecular Weight: 1451.6206
• MDL Number: MFCD11111819
• SMILES: OS(=O)(=O)CCCCS(=O)(=O)O.OS(=O)(=O)CCCCS(=O)(=O)O.[O-]S(=O)(=O)CCCCS(=O)(=O)[O-].C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N.C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N

Computed Properties

• Complexity: 1040
• Covalently-Bonded Unit Count: 5
• Defined Atom Stereocenter Count: 10
• Heavy Atom Count: 90
• Hydrogen Bond Acceptor Count: 38
• Hydrogen Bond Donor Count: 14
• Rotatable Bond Count: 27

Upstream Synthesis Route

SAMe-1,4-Butanedisulfonate is a highly versatile compound widely utilized in chemical synthesis. Its unique structure and properties make it a valuable tool in various organic transformations. One key application of SAMe-1,4-Butanedisulfonate is as a sulfonating agent in the modification of organic molecules. This compound can undergo sulfonation reactions, where the sulfonate group is transferred to the target molecule, thereby introducing new functional groups and enhancing the reactivity of the substrate. Additionally, SAMe-1,4-Butanedisulfonate can act as a protecting group in organic synthesis, effectively shielding reactive functional groups from unwanted side reactions during various synthetic manipulations. Its compatibility with a wide range of reaction conditions and ability to facilitate regioselective transformations make SAMe-1,4-Butanedisulfonate a valuable reagent in the arsenal of synthetic chemists.