Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)
Basic information
- CAS
7645-01-4- Standard SMILES
CCOC(=O)CCC(CC(C)NC)(c1ccccc1)c1ccccc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
VQPSMBLYBNADSP-IFWQJVLJSA-N- Molecular formula
- C28H41NO9
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.27813189
Names & identifiers
- Preferred name
- Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)
- IUPAC
- ethyl 6-(methylamino)-4,4-diphenylheptanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Names & synonyms
DTXSID00997840Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)Ethyl 6-(methylamino)-4,4-diphenylheptanoate--D-gluconic acid (1/1)
Database identifiers
- CAS
7645-01-4- PubChem CID
- 202182
- DTXSID
DTXSID00997840
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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