Cas no 127478-74-4 (L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI))
127478-74-4 structure
Product Name:L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI)
CAS No:127478-74-4
MF:C25H47NO5
MW:441.644388437271
CID:209734
PubChem ID:3035506
Update Time:2025-04-19
L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI)
- diethyl (2S)-2-(hexadecanoylamino)pentanedioate
- diethyl N-palmitoylglutamate
- Deepgt
- Diethyl N-(1-oxohexadecyl)-L-glutamate
- diethyl N-hexadecanoyl-L-glutamate
- L-Glutamic acid, N-(1-oxohexadecyl)-, diethyl ester
- 127478-74-4
- DTXSID60155580
-
- Inchi: 1S/C25H47NO5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)26-22(25(29)31-6-3)20-21-24(28)30-5-2/h22H,4-21H2,1-3H3,(H,26,27)/t22-/m0/s1
- InChI Key: PKYNCDQAFVITPJ-QFIPXVFZSA-N
- SMILES: O=C(CCCCCCCCCCCCCCC)N[C@H](C(=O)OCC)CCC(=O)OCC
Computed Properties
- Exact Mass: 441.34561
- Monoisotopic Mass: 441.34542360g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 31
- Rotatable Bond Count: 23
- Complexity: 467
- 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: 81.7?2
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 7.7
Experimental Properties
- PSA: 81.7
L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
127478-74-4 (L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI)) Related Products
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