(R)-2-(Trifluoromethylsulfonyloxy)propionic Acid Methyl Ester - CAS 115724-80-6
Catalog: |
BB057194 |
Product Name: |
(R)-2-(Trifluoromethylsulfonyloxy)propionic Acid Methyl Ester |
CAS: |
115724-80-6 |
Synonyms: |
(R)-2-(Trifluoromethylsulfonyloxy)-propionic Acid Methyl Ester; (2R)-2-(Trifluoromethylsulfonyloxy)-propionic Acid Methyl Ester |
IUPAC Name: | methyl (2R)-2-(trifluoromethylsulfonyloxy)propanoate |
Description: | (R)-2-(Trifluoromethylsulfonyloxy)propionic acid methyl ester is an intermediate in the synthesis of N-[3-(N-L-Alanyl)-amino-3-carboxypropyl]-D-histidine Trihydrochloride (A510975), which is an analog of Nicotianamine (N408500), a phytosiderophore that is produced in higher plants as iron chelating amino acids that promote uptake of iron from soil. |
Molecular Weight: | 236.17 |
Molecular Formula: | C5H7F3O5S |
Canonical SMILES: | CC(C(=O)OC)OS(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C5H7F3O5S/c1-3(4(9)12-2)13-14(10,11)5(6,7)8/h3H,1-2H3/t3-/m1/s1 |
InChI Key: | GAIWVDWTECBESF-GSVOUGTGSA-N |
References: | Klair, S., et al. J. Plant Nutr., 19, 1295 (1996). |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.99662898 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.99662898 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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