Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O- InChIKey
RYUVEEZMMFRGGS-UHFFFAOYSA-N- Molecular formula
- C23H45NO3S
- Average molar mass
- 415.7 g/mol
Overview
N-Stearoyl Methionine is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- N-(1-Oxooctadecyl)methionine
- IUPAC
- 4-methylsulfanyl-2-(octadecanoylamino)butanoic acid
- English name
- N-(1-oxooctadecyl)-DL-methionine
- Molecular formula
- C23H45NO3S
- Molecular weight
- 415.68
Names & synonyms
21394-42-3N-Stearoyl-DL-methionineRefChem:926594N-(1-Oxooctadecyl)methionine244-357-2N-(1-Oxooctadecyl)-DL-methionineN-stearoyl methionine4-methylsulfanyl-2-(octadecanoylamino)butanoic acidN-octadecanoylmethionineDTXSID10943939EINECS 244-357-2SCHEMBL5664923
Show more names
Methionine, N-(1-oxooctadecyl)-
CHEBI:231187RYUVEEZMMFRGGS-UHFFFAOYSA-NSTK035520N-(1-Hydroxyoctadecylidene)methionineAKOS0053818264-methylsulanyl-2-(octadecanoylamino)butanoic acid
Database identifiers
- CAS
21394-42-3- PubChem CID
- 89489
- DTXSID
DTXSID10943939- ChEBI
CHEBI:231187- EC Number
- 244-357-2
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 91 · 91-93 °C
- Boiling point
- 589.916 · 589.916±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.505 · 3.505±0.10(predicted)
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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