Basic information
- Standard SMILES
O=S(=O)(O)O/N=C(\CCc1ccccc1)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
CKIJIGYDFNXSET-UFYKKMGGSA-N- Molecular formula
- C15H21NO9S2
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.06577325
Overview
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate has been reported in Cardamine cordifolia, Barbarea plantaginea, and other organisms with data available.
Names & identifiers
- Preferred name
- [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate
- IUPAC
- [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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