Cas no 52535-92-9 (2-Furanoctanoic acid, tetrahydro-3-hydroxy-5-(1-hydroxyhexyl)-)
52535-92-9 structure
Product Name:2-Furanoctanoic acid, tetrahydro-3-hydroxy-5-(1-hydroxyhexyl)-
CAS No:52535-92-9
MF:C18H34O5
MW:330.45956659317
CID:359392
PubChem ID:12287844
Update Time:2025-04-19
2-Furanoctanoic acid, tetrahydro-3-hydroxy-5-(1-hydroxyhexyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Furanoctanoic acid, tetrahydro-3-hydroxy-5-(1-hydroxyhexyl)-
- 8-[3-hydroxy-5-(1-hydroxyhexyl)oxolan-2-yl]octanoic acid
- DTXSID20484641
- 52535-92-9
- 10,13-dihydroxy-9,12-epoxy octadecanoic acid
- SCHEMBL5057467
-
- Inchi： 1S/C18H34O5/c1-2-3-7-10-14(19)17-13-15(20)16(23-17)11-8-5-4-6-9-12-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)
- InChI Key： FXZLDZNKMMKORQ-UHFFFAOYSA-N
- SMILES： O1C(CCCCCCCC(=O)O)C(CC1C(CCCCC)O)O
Computed Properties
- Exact Mass: 330.24072
- Monoisotopic Mass: 330.24062418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 321
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 87?2
Experimental Properties
- PSA: 86.99
2-Furanoctanoic acid, tetrahydro-3-hydroxy-5-(1-hydroxyhexyl)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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