Cas no 89596-52-1 (1,3-Benzenediol, 5-[16-(acetyloxy)-17-hydroxypentacosyl]-)
![1,3-Benzenediol, 5-[16-(acetyloxy)-17-hydroxypentacosyl]- structure](https://ossimg.kuujia.com/scimg/90000/89596-52-1x500.png)
89596-52-1 structure
Product Name:1,3-Benzenediol, 5-[16-(acetyloxy)-17-hydroxypentacosyl]-
CAS No:89596-52-1
MF:C33H58O5
MW:534.810631275177
CID:595298
PubChem ID:13314596
Update Time:2025-04-19
1,3-Benzenediol, 5-[16-(acetyloxy)-17-hydroxypentacosyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, 5-[16-(acetyloxy)-17-hydroxypentacosyl]-
- [25-(3,5-dihydroxyphenyl)-9-hydroxypentacosan-10-yl] acetate
- 89596-52-1
- SNF-4794-7
- 25-(3,5-DIHYDROXYPHENYL)-9-HYDROXYPENTACOSAN-10-YL ACETATE
- CHEBI:197767
- DTXSID10536481
-
- Inchi： 1S/C33H58O5/c1-3-4-5-6-17-20-23-32(37)33(38-28(2)34)24-21-18-15-13-11-9-7-8-10-12-14-16-19-22-29-25-30(35)27-31(36)26-29/h25-27,32-33,35-37H,3-24H2,1-2H3
- InChI Key： RNCPMGUKHRCWGJ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(CCCCCCCCCCCCCCCC1C=C(C=C(C=1)O)O)C(CCCCCCCC)O
Computed Properties
- Exact Mass: 534.42842495g/mol
- Monoisotopic Mass: 534.42842495g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 38
- Rotatable Bond Count: 26
- Complexity: 530
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12
- Topological Polar Surface Area: 87?2
1,3-Benzenediol, 5-[16-(acetyloxy)-17-hydroxypentacosyl]- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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