Basic information
- CAS
115900-08-8- Standard SMILES
C=C(c1cc(OC)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1)[N+](C)(C)C- InChIKey
AGDLKEJQGRSJDC-OGJJZOIMSA-N- Molecular formula
- C19H30NO8+
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.19714192
Names & identifiers
- Preferred name
- Ethenaminium, 2-(4-(alpha-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-N,N,N-trimethyl-, (E)-
- IUPAC
- 1-[3,5-dimethoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl-trimethylazanium
Names & synonyms
115900-08-8Ethenaminium, 2-(4-(alpha-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-N,N,N-trimethyl-, (E)-DTXSID909218361-[4-(alpha-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-N,N,N-trimethylethen-1-aminium1-[4-(Hexopyranosyloxy)-3,5-dimethoxyphenyl]-N,N,N-trimethylethen-1-aminium
Database identifiers
- CAS
115900-08-8- PubChem CID
- 189337
- DTXSID
DTXSID90921836
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 1
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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