(5R)-5-Hydroxy-3-oxo-6-(benzyloxy)-hexanoic Acid tert-Butyl Ester - CAS 147849-63-6
Catalog: |
BB060888 |
Product Name: |
(5R)-5-Hydroxy-3-oxo-6-(benzyloxy)-hexanoic Acid tert-Butyl Ester |
CAS: |
147849-63-6 |
Synonyms: |
(5R)-5-Hydroxy-3-oxo-6-(phenylmethoxy)-hexanoic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl (5R)-5-hydroxy-3-oxo-6-phenylmethoxyhexanoate |
Description: | (5R)-5-Hydroxy-3-oxo-6-(benzyloxy)-hexanoic Acid tert-Butyl Ester is used in the preparation of antifungal macrolide antibiotic (+)-Roxaticin, Phorboxazole B and Bryostatin 2. |
Molecular Weight: | 308.37 |
Molecular Formula: | C17H25O5 |
Canonical SMILES: | CC(C)(C)OC(=O)CC(=O)CC(COCC1=CC=CC=C1)O |
InChI: | InChI=1S/C17H24O5/c1-17(2,3)22-16(20)10-14(18)9-15(19)12-21-11-13-7-5-4-6-8-13/h4-8,15,19H,9-12H2,1-3H3/t15-/m1/s1 |
InChI Key: | VBXDDEFKXNFJLL-OAHLLOKOSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Yellow Oil |
References: | Evans, D. et al. J. Am. Chem. Soc., 125, 10899 (2003); Evans, D. et al. J. Am. Chem. Soc., 122, 10033 (2000); Evans, D. et al. J. Am. Chem. Soc., 121, 7540 (1999). |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.16237386 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.16237386 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 72.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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