Basic information
- CAS
871948-94-6- Standard SMILES
CCCCCC(=O)OC[C@H](O)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1- InChIKey
QZVFMGPBMKBFFB-UIOOFZCWSA-N- Molecular formula
- C27H39NO3
- Average molar mass
- 425.6 g/mol
- Monoisotopic mass
- 425.29299411
Names & identifiers
- Preferred name
- Hexanoic acid (2R,3S)-3-dibenzylamino-2-hydroxy-5-methylhexyl ester
- IUPAC
- [(2R,3S)-3-(dibenzylamino)-2-hydroxy-5-methylhexyl] hexanoate
- English name
- Hexanoic acid (2R,3S)-3-dibenzylamino-2-hydroxy-5-methylhexyl ester
- Molecular formula
- C27H39NO3
- Molecular weight
- 425.6
Names & synonyms
871948-94-6Hexanoic acid (2R,3S)-3-dibenzylamino-2-hydroxy-5-methylhexyl esterDTXSID50469880RefChem:347647DTXCID50420698(2R,3S)-3-(Dibenzylamino)-2-hydroxy-5-methylhexyl hexanoate
Database identifiers
- CAS
871948-94-6- PubChem CID
- 11640464
- DTXSID
DTXSID50469880
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 449
Chemistry & industry
Suppliers2 total
TYGER[email protected]
FULCRUM—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…