Cas no 61656-54-0 (2-Furanacetic acid, 5-hexadecyl-, methyl ester)
61656-54-0 structure
Product Name:2-Furanacetic acid, 5-hexadecyl-, methyl ester
CAS No:61656-54-0
MF:C23H40O3
MW:364.56190776825
CID:471155
PubChem ID:10384193
Update Time:2025-04-19
2-Furanacetic acid, 5-hexadecyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Furanacetic acid, 5-hexadecyl-, methyl ester
- methyl 2-(5-hexadecylfuran-2-yl)acetate
- Plakorsin A
- 61656-54-0
- DTXSID10439089
- CHEMBL478745
-
- Inchi： 1S/C23H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19-22(26-21)20-23(24)25-2/h18-19H,3-17,20H2,1-2H3
- InChI Key： RSEGFEUGOMWIRF-UHFFFAOYSA-N
- SMILES： O1C(CC(=O)OC)=CC=C1CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 364.2979
- Monoisotopic Mass: 364.29774513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 18
- Complexity: 329
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
2-Furanacetic acid, 5-hexadecyl-, methyl ester Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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