(2S)-2-hydroxy-3-{4-[(2S)-2-hydroxy-3-sulfopropyl]piperazin-1-yl}propane-1-sulfonic acid

CAS: 68189-43-5

Formula: C10H22N2O8S2

SMILES: O[C@@H](CN1CCN(C[C@H](O)CS(O)(=O)=O)CC1)CS(O)(=O)=O

IUPAC: (2S)-2-hydroxy-3-{4-[(2S)-2-hydroxy-3-sulfopropyl]piperazin-1-yl}propane-1-sulfonic acid

InChI: InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)/t9-,10-/m0/s1

Composition: C (33.14%), H (6.12%), N (7.73%), O (35.32%), S (17.69%)

Molar Mass: 362.41

Atom Count: 44

Heavy Atom Count: 22