Nombre del analito

beta-D-fructofuranosyl alpha -D-Glucopyranoside heptakis ammonium salt

Fórmula molecular

C12 H22 O32 S7 . 7[NH3]

Peso molecular

1021.95252

Masa exacta

1020.9998

SMILES

OC[C@H]([C@H]([C@@H]1OS(=O)(O[NH4])=O)OS(=O)(O[NH4])=O)O[C@]1(COS(=O)(O[NH4])=O)O[C@@H]2[C@H](OS(=O)(O[NH4])=O)[C@@H](OS(=O)(O[NH4])=O)[C@H](OS(=O)(O[NH4])=O)[C@H](O2)COS(=O)(O[NH4])=O

InChI

InChI=1S/C12H22O32S7.7H3N/c13-1-4-7(41-48(23,24)25)10(44-51(32,33)34)12(38-4,3-36-46(17,18)19)39-11-9(43-50(29,30)31)8(42-49(26,27)28)6(40-47(20,21)22)5(37-11)2-35-45(14,15)16;;;;;;;/h4-11,13H,1-3H2,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);7*1H3/t4-,5-,6-,7-,8+,9-,10+,11-,12-;;;;;;;/m1......./s1

IUPAC

ammonia;[(2R,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-disulfooxy-2-(sulfooxymethyl)tetrahydrofuran-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate

País de origen

CANADA

Formato del producto

Neat