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(-)-1,6-Dideoxy-3,4-methanesulfonyl-2,5-di-O-methyl-1,6-thia-D-sorbitol-S,S-oxide
SpectraBase Compound ID 7fVqBqznzR6
InChI InChI=1S/C10H20O10S3/c1-17-7-5-23(15,16)6-8(18-2)10(20-22(4,13)14)9(7)19-21(3,11)12/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1
InChIKey PGHMTVHRLZDHCQ-UTINFBMNSA-N
Mol Weight 396.44 g/mol
Molecular Formula C10H20O10S3
Exact Mass 396.02186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19fBIaPIBdk
Name (-)-1,6-Dideoxy-3,4-methanesulfonyl-2,5-di-O-methyl-1,6-thia-D-sorbitol-S,S-oxide
Alternate Name(s) Methanesulfonic acid [(3R,4R,5R,6S)-3,6-dimethoxy-5-methylsulfonyloxy-1,1-dioxo-4-thiepanyl] ester [(3R,4R,5R,6S)-3,6-dimethoxy-5-methylsulfonyloxy-1,1-dioxothiepan-4-yl] methanesulfonate [(3R,4R,5R,6S)-3,6-dimethoxy-5-methylsulfonyloxy-1,1-dioxo-thiepan-4-yl] methanesulfonate [(3R,4R,5R,6S)-3,6-dimethoxy-5-methylsulfonyloxy-1,1-bis(oxidanylidene)thiepan-4-yl] methanesulfonate
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Formula C10H20O10S3
InChI InChI=1S/C10H20O10S3/c1-17-7-5-23(15,16)6-8(18-2)10(20-22(4,13)14)9(7)19-21(3,11)12/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1
InChIKey PGHMTVHRLZDHCQ-UTINFBMNSA-N
Molecular Weight 396.440 g/mol
SMILES C1S(C[C@@]([C@]([C@@]([C@@]1(OC)[H])(OS(=O)(=O)C)[H])(OS(=O)(=O)C)[H])(OC)[H])(=O)=O
SPLASH splash10-00b9-4910000000-5c2f4a4e59265335bdb8
Source of Spectrum KC-57-3442-5
Wiley ID 1623794