Basic information
- CAS
37571-96-3- Standard SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
BAHIJPSQSKWCJX-QHCPKHFHSA-N- Molecular formula
- C25H41NO3
- Average molar mass
- 403.6 g/mol
- Monoisotopic mass
- 403.30864417
Overview
N-Palmitoyl phenylalanine is a phenylalanine derivative.
Names & identifiers
- Preferred name
- N-Palmitoyl phenylalanine
- IUPAC
- (2S)-2-(hexadecanoylamino)-3-phenylpropanoic acid
- English name
- N-Hexadecanoyl-L-phenlyalanine
- Molecular formula
- C25H41NO3
- Molecular weight
- 403.6
Names & synonyms
N-palmitoyl phenylalanineN-hexadecanoyl-phenylalanineRefChem:109205037571-96-3(S)-2-Palmitamido-3-phenylpropanoic acid(2S)-2-(hexadecanoylamino)-3-phenylpropanoic acidpalmitoyl-L-phenylalanineN-Palmitoyl-phenylalanineN-Hexadecanoyl-L-phenylalanineCHEBI:165556MFCD28975871L-Phenylalanine, N-(1-oxohexadecyl)-
Show more names
N-Hexadecanoyl- PhenylalanineN-Hexadecanoyl-L-phenlyalanine USP/EP/BP2-(hexadecanoylamino)-3-phenylpropanoicaci2-(1-oxohexadecylamino)-3-phenylpropanoic acid
(2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acidN-Hexadecanoyl-phenlyalanineN-Palmitoyl-L-phenylalanineN-Hexadecanoyl-L-phenlyalanineICCB5_000254palmitoyl phenylalanineNAPhe 16:0Epitope ID:2281339
Database identifiers
- CAS
37571-96-3- PubChem CID
- 181534
- DTXSID
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amino acids [FA0805]
Physicochemical properties
- Melting point
- 108 · 108-112 °C
- Boiling point
- 580.262 · 580.262±43.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- 1 · Ethanol: Sparingly soluble: 1-10 mg/ml
- pka
- 3.634 · 3.634±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usessuzuki reaction
Suppliers31 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
越林试剂021-62960152 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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