Cas no 824943-45-5 (1,2-Piperidinedicarboxylicacid, 5-hydroxy-6-methoxy-, 2-methyl 1-(phenylmethyl) ester, (2S,5R)-)
824943-45-5 structure
Product Name:1,2-Piperidinedicarboxylicacid, 5-hydroxy-6-methoxy-, 2-methyl 1-(phenylmethyl) ester, (2S,5R)-
CAS No:824943-45-5
MF:C16H21NO6
MW:323.34104514122
CID:715903
PubChem ID:11771651
Update Time:2025-04-19
1,2-Piperidinedicarboxylicacid, 5-hydroxy-6-methoxy-, 2-methyl 1-(phenylmethyl) ester, (2S,5R)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Piperidinedicarboxylicacid, 5-hydroxy-6-methoxy-, 2-methyl 1-(phenylmethyl) ester, (2S,5R)-
- METHYL (2S,5R)-1-CBZ-5-HYDROXY-6-METHOXYPIPECOLINATE
- 824943-45-5
- METHYL(2S,5R)-1-CBZ-5-HYDROXY-6-METHOXYPIPECOLINATE
- DTXSID00472283
- (2S,5R)-1-Benzyl 2-methyl 5-hydroxy-6-methoxypiperidine-1,2-dicarboxylate
-
- Inchi： 1S/C16H21NO6/c1-21-14-13(18)9-8-12(15(19)22-2)17(14)16(20)23-10-11-6-4-3-5-7-11/h3-7,12-14,18H,8-10H2,1-2H3/t12-,13+,14?/m0/s1
- InChI Key： AWPGAMAVGUJBCC-WLDKUNSKSA-N
- SMILES： O(C)C1[C@@H](CC[C@@H](C(=O)OC)N1C(=O)OCC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 323.13688739g/mol
- Monoisotopic Mass: 323.13688739g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 409
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 85.3?2
Experimental Properties
- Density: 1.276
- Boiling Point: 456.991°C at 760 mmHg
- Flash Point: 230.18°C
- Refractive Index: 1.559
- PSA: 85.30000
- LogP: 1.23190
1,2-Piperidinedicarboxylicacid, 5-hydroxy-6-methoxy-, 2-methyl 1-(phenylmethyl) ester, (2S,5R)- Related Literature
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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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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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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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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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