Cas no 52939-64-7 (Pentanedioic acid, 3-hydroxy-3-pentadecyl-)
52939-64-7 structure
Product Name:Pentanedioic acid, 3-hydroxy-3-pentadecyl-
CAS No:52939-64-7
MF:C20H38O5
MW:358.51272726059
CID:336105
PubChem ID:44370337
Update Time:2025-04-19
Pentanedioic acid, 3-hydroxy-3-pentadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 3-hydroxy-3-pentadecyl-
- 3-hydroxy-3-pentadecylpentanedioic acid
- 3-Pentadecyl-3-hydroxyglutaric acid
- DTXSID60658506
- BDBM50026334
- SCHEMBL3702039
- CHEMBL156576
- 52939-64-7
- 3-Hydroxy-3-pentadecyl-pentanedioic acid
-
- Inchi： 1S/C20H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25,16-18(21)22)17-19(23)24/h25H,2-17H2,1H3,(H,21,22)(H,23,24)
- InChI Key： XIMVZSLUNQIRJQ-UHFFFAOYSA-N
- SMILES： OC(CC(=O)O)(CC(=O)O)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 358.272
- Monoisotopic Mass: 358.272
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 18
- Complexity: 338
- 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
- Topological Polar Surface Area: 94.8A^2
- XLogP3: 6.2
Pentanedioic acid, 3-hydroxy-3-pentadecyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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