Cas no 170305-50-7 ((R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate))
170305-50-7 structure
Product Name:(R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)
CAS No:170305-50-7
MF:C18H22O7S2
MW:414.49308347702
CID:137517
PubChem ID:56972047
Update Time:2025-04-19
(R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) Chemical and Physical Properties
Names and Identifiers
-
- (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)
- 1,2,4-BUTANETRIOL, 1,4-BIS(4-METHYLBENZENESULFONATE), (R)
- (R)-1,4-DITOSYLOXY-2-BUTANOL
- 1,2,4-Butanetriol,1,4-bis(4-methylbenzenesulfonate), (R)- (9CI)
- SCHEMBL4929727
- 1,2,4-Butanetriol,1,4-bis(4-methylbenzenesulfonate),(R)-(9ci)
- 170305-50-7
- [(3R)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
- 1,2,4-butanetriol, 1,4-bis(4-methylbenzenesulfonate), (R)-
-
- Inchi： 1S/C18H22O7S2/c1-14-3-7-17(8-4-14)26(20,21)24-12-11-16(19)13-25-27(22,23)18-9-5-15(2)6-10-18/h3-10,16,19H,11-13H2,1-2H3/t16-/m1/s1
- InChI Key： QFTXCKUWSDSERO-MRXNPFEDSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OC[C@@H](CCOS(C1C=CC(C)=CC=1)(=O)=O)O
Computed Properties
- Exact Mass: 414.08100
- Monoisotopic Mass: 414.08069538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 9
- Complexity: 632
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 124?2
Experimental Properties
- PSA: 123.73000
- LogP: 4.32680
(R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
170305-50-7 ((R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)) Related Products
- 953-91-3(Cyclohexyl 4-Methylbenzenesulfonate)
- 3839-35-8(Hexyl p-Toluenesulfonate)
- 10437-85-1(Cyclobutanol,1-(4-methylbenzenesulfonate))
- 3386-32-1(Octadecyl p-Toluenesulfonate)
- 3386-35-4(n-Octyl-p-Toluenesulfonate)
- 143731-32-2(1,2-Butanediol,1-(4-methylbenzenesulfonate), (2S)-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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