Cas no 160669-45-4 (Panclicin E)
Panclicin E structure
Product Name:Panclicin E
CAS No:160669-45-4
MF:C27H49NO5
MW:467.681668996811
CID:231172
Update Time:2024-03-01
Panclicin E Chemical and Physical Properties
Names and Identifiers
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- Glycine, N-formyl-,(1S)-1-[[(2S,3S)-3-dodecyl-4-oxo-2-oxetanyl]methyl]octyl ester
- (-)-Panclicin E
- Glycine,N-formyl-, 1-[(3-dodecyl-4-oxo-2-oxetanyl)methyl]octyl ester, [2S-[2a(R*),3b]]-
- Panclicin E
-
- Inchi： 1S/C27H49NO5/c1-3-5-7-9-10-11-12-13-15-17-19-24-25(33-27(24)31)20-23(18-16-14-8-6-4-2)32-26(30)21-28-22-29/h22-25H,3-21H2,1-2H3,(H,28,29)/t23-,24-,25-/m0/s1
- InChI Key： HOPVINBCAGNBQT-SDHOMARFSA-N
- SMILES： O1C([C@@H](CCCCCCCCCCCC)[C@@H]1C[C@H](CCCCCCC)OC(CNC=O)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 33
- Rotatable Bond Count: 23
- Complexity: 525
- Topological Polar Surface Area: 81.7
- XLogP3: 9.438
Panclicin E Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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