Cas no 34099-72-4 (Hexadecanoic acid,(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester)
34099-72-4 structure
Product Name:Hexadecanoic acid,(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester
CAS No:34099-72-4
MF:C22H36O5
MW:380.51824760437
CID:323042
PubChem ID:223062
Update Time:2025-04-19
Hexadecanoic acid,(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid,(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester
- AKOS024429006
- Hexadecanoic acid 5-hydroxy-4-oxo-4H-pyran-2-ylmethyl ester
- (5-hydroxy-4-oxo-4h-pyran-2-yl)methyl hexadecanoate
- BDBM50023534
- DTXSID00955642
- NSC-10217
- NSC10217
- CHEMBL9977
- 34099-72-4
- (5-Hydroxy-4-oxo-4H-pyran-2-yl)methyl palmitate
-
- Inchi： 1S/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)27-17-19-16-20(23)21(24)18-26-19/h16,18,24H,2-15,17H2,1H3
- InChI Key： SCMIWPGWSPIICN-UHFFFAOYSA-N
- SMILES： O(CC1=CC(C(=CO1)O)=O)C(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 380.25638
- Monoisotopic Mass: 380.25627424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 17
- Complexity: 493
- 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: 7
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
- LogP: 5.86990
Hexadecanoic acid,(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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