N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine 1,1-Dimethylethyl Ester Methanesulfonate - CAS 168264-01-5

Catalog:	BB066460
Product Name:	N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine 1,1-Dimethylethyl Ester Methanesulfonate
CAS:	168264-01-5
Synonyms:	(S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-4-((methylsulfonyl)oxy)butanoate

Technical Data

IUPAC Name:	tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxybutanoate
Description:	N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine 1,1-Dimethylethyl Ester Methanesulfonate is an intermediate in synthesizing L-Methionine-34S (M260443). It is a labelled L-Methionine, an essential aminoacid for human development. Hepatoprotectant; antidote (acetominophen poisoning); urinary acidifier.
Molecular Weight:	353.43
Molecular Formula:	C14H27NO7S
Canonical SMILES:	CC(C)(C)OC(=O)C(CCOS(=O)(=O)C)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C14H27NO7S/c1-13(2,3)21-11(16)10(8-9-20-23(7,18)19)15-12(17)22-14(4,5)6/h10H,8-9H2,1-7H3,(H,15,17)/t10-/m0/s1
InChI Key:	CFEGMMGSUXRCGC-JTQLQIEISA-N
Solubility:	Chloroform; Dichloromethane; Ethyl Acetate
Appearance:	Off-white Solid
Storage:	-20°C Freezer
References:	Benevenga, N.J., et al. J. Agric. Food Chem., 22, 2 (1974); Fleisher, L.D., et al. Clin. Endocrinol. Metab., 3, 37 (1974); Meinnel, T., et al. Biochimie, 75, 1061 (1993).

Complexity:	509
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	353.15082337
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	353.15082337
Rotatable Bond Count:	10
Topological Polar Surface Area:	116Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6