Cas no 146462-60-4 (2,5,8,11-Tetraoxatridecan-13-ol, 1,1,1-triphenyl-, methanesulfonate)
146462-60-4 structure
Product Name:2,5,8,11-Tetraoxatridecan-13-ol, 1,1,1-triphenyl-, methanesulfonate
CAS No:146462-60-4
MF:C28H36O8S
MW:532.645648002625
CID:2778130
Update Time:2023-08-07
2,5,8,11-Tetraoxatridecan-13-ol, 1,1,1-triphenyl-, methanesulfonate Chemical and Physical Properties
Names and Identifiers
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- 2,5,8,11-Tetraoxatridecan-13-ol, 1,1,1-triphenyl-, methanesulfonate
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- Inchi： 1S/C27H32O5.CH4O3S/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-5(2,3)4/h1-15,28H,16-23H2;1H3,(H,2,3,4)
- InChI Key： XTWYJMJSZWBZEX-UHFFFAOYSA-N
- SMILES： S(C)(=O)(=O)O.O(CCOCCOCCOCCO)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 37
- Rotatable Bond Count: 15
- Complexity: 500
- Topological Polar Surface Area: 120
2,5,8,11-Tetraoxatridecan-13-ol, 1,1,1-triphenyl-, methanesulfonate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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