Cas no 45287-42-1 (N-Hexadecanoyl-L-valine)
N-Hexadecanoyl-L-valine structure
Product Name:N-Hexadecanoyl-L-valine
CAS No:45287-42-1
MF:C21H41NO3
MW:355.555146932602
CID:55686
PubChem ID:3687398
Update Time:2025-04-18
N-Hexadecanoyl-L-valine Chemical and Physical Properties
Names and Identifiers
-
- N-Hexadecanoyl-L-valine
- 2-(hexadecanoylamino)-3-methylbutanoic acid
- N-HEXADECANOYL- VALINE
- (S)-N-hexadecanoylvaline
- 2-(hexadecanoylamino)-3-methyl-butanoic Acid
- 3-methyl-2-(1-oxohexadecylamino)butanoic acid
- N-n-hexadecanoyl (L)-valine
- N-palmitoyl-L-valine
- N-palmitoylvaline
- L-Valine,N-palmitoyl- (6CI,7CI)
- L-Palmitoylvaline
- SCHEMBL543200
- DTXSID70395056
- FT-0697561
- N-HEXADECANOYL-VALINE
- FT-0698426
- 45287-42-1
- A826763
- N-Hexadecanoylvaline
-
- Inchi： 1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)22-20(18(2)3)21(24)25/h18,20H,4-17H2,1-3H3,(H,22,23)(H,24,25)
- InChI Key： OGLNTVZUARMGNY-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCC)NC(C(=O)O)C(C)C
Computed Properties
- Exact Mass: 355.30900
- Monoisotopic Mass: 355.309
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 17
- Complexity: 342
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.4A^2
- XLogP3: 7.8
Experimental Properties
- Density: 0.944
- Boiling Point: 516.8°C at 760 mmHg
- Flash Point: 266.3°C
- Refractive Index: 1.466
- PSA: 66.40000
- LogP: 6.08400
N-Hexadecanoyl-L-valine Related Literature
-
Manesh Prakash Joshi,Anupam A. Sawant,Sudha Rajamani Chem. Sci. 2021 12 2970
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