(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

Technical Data

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:	72.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6