Basic information
- CAS
272123-01-0- Standard SMILES
CCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O- InChIKey
GFNNQTYRJPFJGX-OAQYLSRUSA-N- Molecular formula
- C23H37NO3
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.27734404
Names & identifiers
- Preferred name
- D-Phenylalanine, N-(1-oxotetradecyl)-
- IUPAC
- (2R)-3-phenyl-2-(tetradecanoylamino)propanoic acid
- English name
- N-Butadecanoyl-D-phenylalanine
- Molecular formula
- C23H37NO3
- Molecular weight
- 375.54
Names & synonyms
D-Phenylalanine, N-(1-oxotetradecyl)-272123-01-0(2R)-3-phenyl-2-(tetradecanoylamino)propanoic acidN-Tetradecanoyl-D-phenylalanineDTXSID80181684N-Butadecanoyl-D-phenylalanineN-Butadecanoyl-D-phenylalanine USP/EP/BP
Database identifiers
- CAS
272123-01-0- PubChem CID
- 512640
- DTXSID
DTXSID80181684- Nikkaji
- J1.836.157D
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 559.9 · 559.9±43.0 °C(Predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
- pka
- 3.63 · 3.63±0.10(Predicted)
Chemistry & industry
Applications
Usessuzuki reaction
Suppliers4 total
越林试剂021-62960152 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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