Cas no 4239-20-7 (1,2-Propanediol,3-(hexadecyloxy)-, 1,2-dimethanesulfonate)
4239-20-7 structure
Product Name:1,2-Propanediol,3-(hexadecyloxy)-, 1,2-dimethanesulfonate
CAS No:4239-20-7
MF:C21H44O7S2
MW:472.699865341187
CID:332507
PubChem ID:244798
Update Time:2025-04-19
1,2-Propanediol,3-(hexadecyloxy)-, 1,2-dimethanesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-(hexadecyloxy)-, 1,2-dimethanesulfonate
- (3-hexadecoxy-2-methylsulfonyloxypropyl) methanesulfonate
- 3-(hexadecyloxy)propane-1,2-diyl dimethanesulfonate
- AC1L6EHV
- AC1Q6Y5M
- AG-K-22717
- AR-1E7746
- CTK4I6172
- NSC55962
- NSC-55962
- DTXSID70288474
- 4239-20-7
-
- Inchi： 1S/C21H44O7S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(28-30(3,24)25)20-27-29(2,22)23/h21H,4-20H2,1-3H3
- InChI Key： UHSKKATYJIRNMY-UHFFFAOYSA-N
- SMILES： S(C)(=O)(=O)OC(COS(C)(=O)=O)COCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 472.25302
- Monoisotopic Mass: 472.253
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 30
- Rotatable Bond Count: 22
- Complexity: 578
- 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: 6.7
- Topological Polar Surface Area: 113?2
Experimental Properties
- Density: 1.082
- Boiling Point: 607.7°C at 760 mmHg
- Flash Point: 321.3°C
- Refractive Index: 1.471
- PSA: 95.97
- LogP: 6.96690
1,2-Propanediol,3-(hexadecyloxy)-, 1,2-dimethanesulfonate Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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