Cas no 57471-70-2 (diethyl N-benzyloxycarbonyl-(S)-aspartate)
57471-70-2 structure
Product Name:diethyl N-benzyloxycarbonyl-(S)-aspartate
CAS No:57471-70-2
MF:C16H21NO6
MW:323.34104514122
CID:3047870
PubChem ID:10871014
Update Time:2025-04-21
diethyl N-benzyloxycarbonyl-(S)-aspartate Chemical and Physical Properties
Names and Identifiers
-
- diethyl N-benzyloxycarbonyl-(S)-aspartate
- N-Cbz-L-Asp(OEt)OEt;Z-Asp(OC2H5)OC2H5;
- 1,4-Diethyl N-[(phenylmethoxy)carbonyl]-L-aspartate
- DTXSID001222241
- 57471-70-2
-
- Inchi： 1S/C16H21NO6/c1-3-21-14(18)10-13(15(19)22-4-2)17-16(20)23-11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,20)/t13-/m0/s1
- InChI Key： NXVABRCTKKSASF-ZDUSSCGKSA-N
- SMILES： O(CC)C([C@H](CC(=O)OCC)NC(=O)OCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 323.13700
- Monoisotopic Mass: 323.13688739Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 11
- Complexity: 392
- 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: 2
- Topological Polar Surface Area: 90.9?2
Experimental Properties
- PSA: 90.93000
- LogP: 2.18860
diethyl N-benzyloxycarbonyl-(S)-aspartate Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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