Agn-PC-0jkphu
Basic information
- CAS
35493-90-4- Standard SMILES
CCCCCCCCCCCCC[N+](C)(C)[O-].O=C(O)C1C2CCC(O2)C1C(=O)O- InChIKey
QQKFCXCTWDLZEW-UHFFFAOYSA-N- Molecular formula
- C23H43NO6
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.30903809
Names & identifiers
- Preferred name
- Agn-PC-0jkphu
- IUPAC
- N,N-dimethyltridecan-1-amine oxide;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Names & synonyms
AGN-PC-0JKPHU35493-90-4DTXSID00275397N,N-Dimethyltridecan-1-amine N-oxide--7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid (1/1)
Database identifiers
- CAS
35493-90-4- PubChem CID
- 37158
- DTXSID
DTXSID00275397
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 392
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Related reactions
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Compound notes
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