Cas no 82612-07-5 (Pentacosanoic acid, 25-hydroxy-)
82612-07-5 structure
Product Name:Pentacosanoic acid, 25-hydroxy-
CAS No:82612-07-5
MF:C25H50O3
MW:398.662708759308
CID:687414
PubChem ID:14325176
Update Time:2025-04-19
Pentacosanoic acid, 25-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Pentacosanoic acid, 25-hydroxy-
- 25-hydroxypentacosanoic acid
- DTXSID50558960
- SCHEMBL4530716
- 82612-07-5
-
- Inchi： 1S/C25H50O3/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h26H,1-24H2,(H,27,28)
- InChI Key： HBMXPBLBFQDRGX-UHFFFAOYSA-N
- SMILES： OCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 398.37599545g/mol
- Monoisotopic Mass: 398.37599545g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 24
- Complexity: 304
- 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: 9.1
- Topological Polar Surface Area: 57.5?2
Pentacosanoic acid, 25-hydroxy- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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