Basic information
- CAS
19132-64-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O- InChIKey
FGJOQQQRZNFKBP-QFIPXVFZSA-N- Molecular formula
- C24H43N3O3
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.33044224
Overview
N-Stearoyl histidine is a histidine derivative.
Names & identifiers
- Preferred name
- N-Stearoylhistidine
- IUPAC
- (2S)-3-(1H-imidazol-5-yl)-2-(octadecanoylamino)propanoic acid
- English name
- N-stearoylhistidine
- Molecular formula
- C24H43N3O3
- Molecular weight
- 421.62
Names & synonyms
N-Stearoylhistidine19132-64-0DTXSID90172649RefChem:164195DTXCID8095140N-stearoyl histidineN-octadecanoyl-histidine(2S)-3-(1H-imidazol-5-yl)-2-(octadecanoylamino)propanoic acidstearoyl-L-histidineN-Stearoyl-L-histidineL-Histidine,N-(1-oxooctadecyl)-N-octadecanoyl-L-histidine
Show more names
NAHis 18:0orb1985523SCHEMBL9664371SCHEMBL9664374CHEBI:165569L-Histidine, N-(1-oxooctadecyl)-LMFA08020135AKOS040753335
Database identifiers
- CAS
19132-64-0- PubChem CID
- 152252
- DTXSID
DTXSID90172649- ChEBI
CHEBI:165569- Nikkaji
- J1.616.123C
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amino acids [FA0805]
Physicochemical properties
- Boiling point
- 654.3 · 654.3±50.0 °C(Predicted)
- Density
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- pka
- 3.17 · 3.17±0.10(Predicted)
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: N-Stearoyl histidine is a histidine derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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