Cas no 139159-73-2 (3,6,9,12,15-Pentaoxaheptadecanedioic acid, 2,16-dibutyl-)
139159-73-2 structure
Product Name:3,6,9,12,15-Pentaoxaheptadecanedioic acid, 2,16-dibutyl-
CAS No:139159-73-2
MF:C20H38O9
MW:422.51032781601
CID:2773795
PubChem ID:10025261
Update Time:2025-04-21
3,6,9,12,15-Pentaoxaheptadecanedioic acid, 2,16-dibutyl- Chemical and Physical Properties
Names and Identifiers
-
- DTXSID90434395
- 3,6,9,12,15-Pentaoxaheptadecanedioic acid, 2,16-dibutyl-
- 139159-73-2
-
- Inchi： 1S/C20H38O9/c1-3-5-7-17(19(21)22)28-15-13-26-11-9-25-10-12-27-14-16-29-18(20(23)24)8-6-4-2/h17-18H,3-16H2,1-2H3,(H,21,22)(H,23,24)
- InChI Key： JTMTYJQJDKNRJF-UHFFFAOYSA-N
- SMILES： O(CCOCCOCCOCCOC(C(=O)O)CCCC)C(C(=O)O)CCCC
Computed Properties
- Exact Mass: 422.25158279Da
- Monoisotopic Mass: 422.25158279Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 29
- Rotatable Bond Count: 22
- Complexity: 367
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 121?2
3,6,9,12,15-Pentaoxaheptadecanedioic acid, 2,16-dibutyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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