Glucosulfone
[CAS# 554-18-7]

Identification

• Name: Glucosulfone
• Synonyms: Disodium (1S,2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxy-1-[[4-[4-[[(1S,2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxy-1-Sulfonato-Hexyl]Amino]Phenyl]Sulfonylphenyl]Amino]Hexane-1-Sulfonate; 1,1'-(Sulfonylbis(4,1-Phenyleneimino))Bis(1-Deoxy-1-Sulfo-D-Glucitol) Disodium Salt; 4,4'-Diamino-Diphenyl-Sulfon-Di-D-Glucosidsulfonat Dinatrium [German]
• Molecular Formula: C₂₄H₃₄N₂Na₂O₁₈S₃
• Molecular Weight: 780.69
• CAS Registry Number: 554-18-7
• EINECS: 209-064-6
• SMILES: [C@@H]([S]([O-])(=O)=O)(NC2=CC=C([S](=O)(=O)C1=CC=C(N[C@@H]([S]([O-])(=O)=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C=C1)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].[Na+]
• InChI: 1S/C24H36N2O18S3.2Na/c27-9-15(29)17(31)19(33)21(35)23(46(39,40)41)25-11-1-5-13(6-2-11)45(37,38)14-7-3-12(4-8-14)26-24(47(42,43)44)22(36)20(34)18(32)16(30)10-28;;/h1-8,15-36H,9-10H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t15-,16-,17-,18-,19+,20+,21-,22-,23+,24+;;/m1../s1
• InChIKey: NLLGJEMIZSAJFN-XRAGNMTMSA-L