Cas no 120784-87-4 (tetracontyl hexadecanoate)
tetracontyl hexadecanoate structure
Product Name:tetracontyl hexadecanoate
CAS No:120784-87-4
MF:C56H112O2
MW:817.487298965454
CID:2617264
PubChem ID:71339790
Update Time:2025-04-21
tetracontyl hexadecanoate Chemical and Physical Properties
Names and Identifiers
-
- tetracontyl hexadecanoate
- Tetracontylpalmitate
- DTXSID10767137
- Tetracontyl palmitate
- 120784-87-4
-
- Inchi： 1S/C56H112O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-58-56(57)54-52-50-48-46-44-42-16-14-12-10-8-6-4-2/h3-55H2,1-2H3
- InChI Key： NQKGGBXGDVOPGO-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 816.86623281Da
- Monoisotopic Mass: 816.86623281Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 58
- Rotatable Bond Count: 54
- Complexity: 717
- 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: 28.2
- Topological Polar Surface Area: 26.3?2
tetracontyl hexadecanoate Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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