Basic information
- Standard SMILES
CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
DYAQCRHEYVANDL-SENXDWNCSA-N- Molecular formula
- C11H21NO10S2
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.06068787
Overview
[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-hydroxy-3-methyl-N-sulfooxybutanimidothioate has been reported in Bretschneidera sinensis with data available.
Names & identifiers
- Preferred name
- [(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
- IUPAC
- [(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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