Cas no 81155-71-7 (Oxacycloheptacosan-2-one, 3-hydroxy-)
81155-71-7 structure
Product Name:Oxacycloheptacosan-2-one, 3-hydroxy-
CAS No:81155-71-7
MF:C26H50O3
MW:410.673408985138
CID:704418
PubChem ID:71421036
Update Time:2025-04-19
Oxacycloheptacosan-2-one, 3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Oxacycloheptacosan-2-one, 3-hydroxy-
- 3-hydroxy-oxacycloheptacosan-2-one
- DTXSID00840206
- 3-HYDROXY-1-OXACYCLOHEPTACOSAN-2-ONE
- 81155-71-7
-
- Inchi： 1S/C26H50O3/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-29-26(25)28/h25,27H,1-24H2
- InChI Key： NSVRRHNSGWFLQQ-UHFFFAOYSA-N
- SMILES： O1C(C(CCCCCCCCCCCCCCCCCCCCCCCC1)O)=O
Computed Properties
- Exact Mass: 410.37599545g/mol
- Monoisotopic Mass: 410.37599545g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 0
- Complexity: 356
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11
- Topological Polar Surface Area: 46.5?2
Oxacycloheptacosan-2-one, 3-hydroxy- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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