Cas no 90514-98-0 (2-(Hexadecyloxy)-3-hydroxypropyl hexadecanoate)
90514-98-0 structure
Product Name:2-(Hexadecyloxy)-3-hydroxypropyl hexadecanoate
CAS No:90514-98-0
MF:C35H70O4
MW:554.92791223526
CID:2812368
PubChem ID:13568187
Update Time:2025-04-21
2-(Hexadecyloxy)-3-hydroxypropyl hexadecanoate Chemical and Physical Properties
Names and Identifiers
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- 90514-98-0
- 2-hexadecyl-1-palmitoylglycerol
- 2-(HEXADECYLOXY)-3-HYDROXYPROPYL HEXADECANOATE
- DTXCID20494806
- DTXSID10544021
- 2-(Hexadecyloxy)-3-hydroxypropyl hexadecanoate
-
- Inchi： 1S/C35H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-34(32-36)33-39-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,36H,3-33H2,1-2H3
- InChI Key： KAIIJQURNKGJNV-UHFFFAOYSA-N
- SMILES： O(C(CO)COC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 554.52741071g/mol
- Monoisotopic Mass: 554.52741071g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 39
- Rotatable Bond Count: 34
- Complexity: 468
- 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: 14.4
- Topological Polar Surface Area: 55.8?2
2-(Hexadecyloxy)-3-hydroxypropyl hexadecanoate Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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