3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoic Acid tert-Butyl Ester - CAS 147961-55-5
Catalog: |
BB060559 |
Product Name: |
3-(S)-(4-(S)-Isopropyl-2-oxo-oxazolidine-3-carbonyl)-octanoic Acid tert-Butyl Ester |
CAS: |
147961-55-5 |
Synonyms: |
[S-(R*,S*)]-4-(1-Methylethyl)-γ,2-dioxo-β-pentyl-3-oxazolidinebutanoic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl (3R)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate |
Molecular Weight: | 355.47 |
Molecular Formula: | C19H33NO5 |
Canonical SMILES: | CCCCCC(CC(=O)OC(C)(C)C)C(=O)N1C(COC1=O)C(C)C |
InChI: | InChI=1S/C19H33NO5/c1-7-8-9-10-14(11-16(21)25-19(4,5)6)17(22)20-15(13(2)3)12-24-18(20)23/h13-15H,7-12H2,1-6H3/t14-,15-/m1/s1 |
InChI Key: | WUJMQRANTBDPAP-HUUCEWRRSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Light-Yellow Solid |
Complexity: | 481 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 355.23587315 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 355.23587315 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 72.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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