[(2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxyoxan-2-yl]-dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium
Basic information
- Standard SMILES
C[N+](C)(CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
WXMXRAPAGYPAJI-ARXROMJUSA-O- Molecular formula
- C26H32NO6+
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.22296274
Names & identifiers
- Preferred name
- [(2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxyoxan-2-yl]-dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium
- IUPAC
- [(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium
Names & synonyms
[(2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxyoxan-2-yl]-dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium
Database identifiers
- PubChem CID
- 62982
- Nikkaji
- J666.280C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 698
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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