Ademethionine 1,4-Butanedisulfonate

Analytenname

Ademethionine 1,4-Butanedisulfonate

CAS-Nummer

101020-79-5

Molekularformel

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

Molekulargewicht

1451.62

Genaue Masse

1450.2501

Flammpunkt

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

Lagertemperatur

-20°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat

Purity

>95% (HPLC)