Cas no 94632-81-2 (Pentacosyl hexadecanoate)
Pentacosyl hexadecanoate structure
Product Name:Pentacosyl hexadecanoate
CAS No:94632-81-2
MF:C41H82O2
MW:607.088593959808
CID:2356465
PubChem ID:71330492
Update Time:2025-04-21
Pentacosyl hexadecanoate Chemical and Physical Properties
Names and Identifiers
-
- pentacosyl hexadecanoate
- 94632-81-2
- DTXSID20759184
- Pentacosyl hexadecanoate
-
- Inchi： 1S/C41H82O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-43-41(42)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
- InChI Key： KKVMYOMOYHSZLH-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 606.63148185Da
- Monoisotopic Mass: 606.63148185Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 43
- Rotatable Bond Count: 39
- Complexity: 502
- 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: nothing
- Tautomer Count: nothing
- Surface Charge: 0
- Topological Polar Surface Area: 26.3?2
Pentacosyl hexadecanoate Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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