Cas no 39843-15-7 (Hexadecanoic acid, 3-(acetyloxy)-2-hydroxypropyl ester)
39843-15-7 structure
Product Name:Hexadecanoic acid, 3-(acetyloxy)-2-hydroxypropyl ester
CAS No:39843-15-7
MF:C21H40O5
MW:372.539307594299
CID:3965080
PubChem ID:71535713
Update Time:2025-04-22
Hexadecanoic acid, 3-(acetyloxy)-2-hydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid, 3-(acetyloxy)-2-hydroxypropyl ester
- JJEYQTYWEVZYLY-UHFFFAOYSA-N
- 1-palmitoyl-3-acetylglycerol
- 39843-15-7
- Palmitin, 3-aceto-1-
- 3-Aceto-1-palmitin
- UTB646WY6E
- UNII-UTB646WY6E
- Q27896444
- SCHEMBL6109538
- rac-1-palmitoyl-3-acetylglycerol
-
- Inchi： 1S/C21H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(24)26-18-20(23)17-25-19(2)22/h20,23H,3-18H2,1-2H3
- InChI Key： JJEYQTYWEVZYLY-UHFFFAOYSA-N
- SMILES： O(CC(COC(C)=O)O)C(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 372.28757437g/mol
- Monoisotopic Mass: 372.28757437g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 20
- Complexity: 343
- 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: 6.7
- Topological Polar Surface Area: 72.8?2
Hexadecanoic acid, 3-(acetyloxy)-2-hydroxypropyl ester Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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