Basic information
- CAS
15592-35-5- Standard SMILES
C[N+](C)(C)C.O=S(=O)([O-])O/N=C(/Cc1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
AFBIUHBWLJQCCI-ZSEXIEBSSA-M- Molecular formula
- C18H30N2O9S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.16720171
Names & identifiers
- Preferred name
- Tetramethylammonium (alpha-(beta-D-glucopyranosyl)phenethylideneaminyl) sulphate
- IUPAC
- [(Z)-[2-phenyl-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethylidene]amino] sulfate;tetramethylazanium
Names & synonyms
15592-35-5EINECS 239-663-8Tetramethylammonium (alpha-(beta-D-glucopyranosyl)phenethylideneaminyl) sulphate
Database identifiers
- CAS
15592-35-5- PubChem CID
- 44153262
- EC Number
- 239-663-8
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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