Cas no 56599-97-4 (Hexadecanoic acid, 1-tetradecyl-1,2-ethanediyl ester)
56599-97-4 structure
Product Name:Hexadecanoic acid, 1-tetradecyl-1,2-ethanediyl ester
CAS No:56599-97-4
MF:C48H94O4
MW:735.257576465607
CID:348420
PubChem ID:617319
Update Time:2025-04-19
Hexadecanoic acid, 1-tetradecyl-1,2-ethanediyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid, 1-tetradecyl-1,2-ethanediyl ester
- Bispalmitic acid 1,2-hexadecanediyl ester
- hexadecane-1,2-diyl dihexadecanoate
- 1,2-O,O-Dihexadecanoyl-1,2-hexadecanediol
- CHEBI:75608
- 2-(Palmitoyloxy)hexadecyl palmitate #
- 2-palmitoyloxypalmityl palmitate
- 56599-97-4
- Q27145420
- JBXHTKYUTHLVLY-UHFFFAOYSA-N
- DTXSID101220543
- 2-hexadecanoyloxyhexadecyl hexadecanoate
-
- Inchi： 1S/C48H94O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-47(49)51-45-46(42-39-36-33-30-27-24-21-18-15-12-9-6-3)52-48(50)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
- InChI Key： JBXHTKYUTHLVLY-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCC)=O)C(COC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 734.71521148g/mol
- Monoisotopic Mass: 734.71521148g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 52
- Rotatable Bond Count: 46
- Complexity: 707
- 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: 21.9
- Topological Polar Surface Area: 52.6?2
Hexadecanoic acid, 1-tetradecyl-1,2-ethanediyl ester Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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