Cas no 1116-15-0 (L-Aspartic acid, N-(1-oxooctadecyl)-)
1116-15-0 structure
Product Name:L-Aspartic acid, N-(1-oxooctadecyl)-
CAS No:1116-15-0
MF:C22H41NO5
MW:399.564647436142
CID:97265
PubChem ID:15546269
Update Time:2025-04-19
L-Aspartic acid, N-(1-oxooctadecyl)- Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid, N-(1-oxooctadecyl)-
- (2S)-2-(octadecanoylamino)butanedioic acid
- DTXSID20573943
- SCHEMBL1713210
- N-Octadecanoyl-L-aspartic acid
- 1116-15-0
- n-stearoyl aspartic acid
- DTXCID40524715
-
- Inchi： 1S/C22H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23-19(22(27)28)18-21(25)26/h19H,2-18H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t19-/m0/s1
- InChI Key： XWECHXDFKBPXQY-IBGZPJMESA-N
- SMILES： O=C(CCCCCCCCCCCCCCCCC)N[C@H](C(=O)O)CC(=O)O
Computed Properties
- Exact Mass: 399.29863
- Monoisotopic Mass: 399.29847341g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 20
- Complexity: 425
- 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
- XLogP3: 7.1
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 103.7
L-Aspartic acid, N-(1-oxooctadecyl)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
1116-15-0 (L-Aspartic acid, N-(1-oxooctadecyl)-) Related Products
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- 1946-82-3(Na-Acetyl-L-Lysine)
- 997-55-7(N-Acetyl-L-aspartic acid)
- 1188-37-0(N-Acetyl-L-glutamic acid)
- 98-79-3(L-Pyroglutamic acid)
- 35305-74-9(N-Acetyl-L-glutamine)
- 19146-55-5(N-Acetyl-D-glutamic Acid)
- 2490-97-3(Aceglutamide)
- 4042-36-8((2R)-5-oxopyrrolidine-2-carboxylic acid)
- 5817-08-3(2-Acetamidopentanedioic acid)
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