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6315-52-2 | Ethane-1,2-diyl bis(4-methylbenzenesulfonate)
CAS No: 6315-52-2 Catalog No: AG003DCR MDL No:MFCD00008549
Product Description
Catalog Number:
AG003DCR
Chemical Name:
Ethane-1,2-diyl bis(4-methylbenzenesulfonate)
CAS Number:
6315-52-2
Molecular Formula:
C16H16O6S2--
Molecular Weight:
368.4246
MDL Number:
MFCD00008549
IUPAC Name:
2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChI Key:
LZIPBJBQQPZLOR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-][CH][CH][O-]S(=O)(=O)c1ccc(cc1)C
EC Number:
613-165-4
NSC Number:
21094
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.054g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.434g/mol
Monoisotopic Mass:
370.054g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Efficient automated one-step synthesis of 2-[18F]fluoroethylcholine for clinical imaging: optimized reaction conditions and improved quality controls of different synthetic approaches. | Nuclear medicine and biology 20100401 |
| Synthesis of fluorine-18 labeled rhodamine B: A potential PET myocardial perfusion imaging agent. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20100101 |
| [11C]-DPA-713 and [18F]-DPA-714 as new PET tracers for TSPO: a comparison with [11C]-(R)-PK11195 in a rat model of herpes encephalitis. | Molecular imaging and biology : MIB : the official publication of the Academy of Molecular Imaging 20091101 |
| Optimization of automated large-scale production of [(18)F]fluoroethylcholine for PET prostate cancer imaging. | Nuclear medicine and biology 20090701 |
| Fully automated synthesis module for preparation of S-(2-[(18)F]fluoroethyl)-L-methionine by direct nucleophilic exchange on a quaternary 4-aminopyridinium resin. | Nuclear medicine and biology 20030701 |
| Development of (18)F-fluoroethylcholine for cancer imaging with PET: synthesis, biochemistry, and prostate cancer imaging. | Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20020201 |
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