2-Hydroxypropane-1,2,3-tricarboxylic acid--methyl 4-(2-oxo-1-phenylbutyl)-1-(2-phenylethyl)piperidine-4-carboxylate (1/1)
Basic information
- CAS
61380-27-6- Standard SMILES
CCC(=O)C(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
RTDOHCZWOSOJKQ-UHFFFAOYSA-N- Molecular formula
- C31H39NO10
- Average molar mass
- 585.6 g/mol
- Monoisotopic mass
- 585.25739644
Names & identifiers
- Preferred name
- 2-Hydroxypropane-1,2,3-tricarboxylic acid--methyl 4-(2-oxo-1-phenylbutyl)-1-(2-phenylethyl)piperidine-4-carboxylate (1/1)
- IUPAC
- 2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 4-(2-oxo-1-phenylbutyl)-1-(2-phenylethyl)piperidine-4-carboxylate
Names & synonyms
SCHEMBL25381968DTXSID50976923RTDOHCZWOSOJKQ-UHFFFAOYSA-N2-Hydroxypropane-1,2,3-tricarboxylic acid--methyl 4-(2-oxo-1-phenylbutyl)-1-(2-phenylethyl)piperidine-4-carboxylate (1/1)
Database identifiers
- CAS
61380-27-6- PubChem CID
- 65496
- DTXSID
DTXSID50976923
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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