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Ademethionine 1,4-Butanedisulfonate

Product Code

TRC-A280355

CAS Number

101020-79-5

Product Format

Neat

Molecular Formula

2 C15 H22 N6 O5 S . 3 C4 H10 O6 S2

Molecular Weight

1451.62

Product Categories

Pharmaceutical Reference Standards, TRC, Nucleobase, nucleoside & nucleotide derivatives, Nucleotides & nucleosides, Nucleotides and nucleosides

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.
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Product Information

Chemical Data

Analyte Name

Ademethionine 1,4-Butanedisulfonate

CAS Number

101020-79-5

Molecular Formula

2 C15 H22 N6 O5 S . 3 C4 H10 O6 S2

Molecular Weight

1451.62

Accurate Mass

1450.2501

Flash Point

0

SMILES

C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23.C[S+](CC[C@H](N)C(=O)[O-])C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56.OS(=O)(=O)CCCCS(=O)(=O)O.OS(=O)(=O)CCCCS(=O)(=O)O.OS(=O)(=O)CCCCS(=O)(=O)O

InChI

InChI=1S/2C15H22N6O5S.3C4H10O6S2/c2*1-27(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;3*5-11(6,7)3-1-2-4-12(8,9)10/h2*5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);3*1-4H2,(H,5,6,7)(H,8,9,10)/t2*7-,8+,10+,11+,14+,27?;;;/m00.../s1

IUPAC

(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate;butane-1,4-disulfonic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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