(2S,3S)-2,3-Dihydroxy-butanoic Acid Methyl Ester - CAS 1932552-43-6

Catalog:	BB067465
Product Name:	(2S,3S)-2,3-Dihydroxy-butanoic Acid Methyl Ester
CAS:	1932552-43-6
Synonyms:	methyl (2S,3S)-2,3-dihydroxybutanoate

Technical Data

IUPAC Name:	methyl (2S,3S)-2,3-dihydroxybutanoate
Description:	(2S,3S)-3-Hydroxy-2-methyl-butanoic Acid Methyl Ester is an intermediate in the synthesis of (+)-Echimidine N-Oxide, which is a a hepatotoxic pyrrolizidine alkaloid. Different extracts and echimidine-N-oxide from Symphytum sylvaticum Boiss. Subsp. sepulcrale, has been shown to have Antifungal activity.
Molecular Weight:	134.13
Molecular Formula:	C5H10O4
Canonical SMILES:	CC(C(C(=O)OC)O)O
InChI:	InChI=1S/C5H10O4/c1-3(6)4(7)5(8)9-2/h3-4,6-7H,1-2H3/t3-,4-/m0/s1
InChI Key:	WSWXGWWRXBEESI-IMJSIDKUSA-N
Solubility:	Methanol
Appearance:	Clear Oil
References:	Kartal, M., et al. Turkish, J. Med. Sci., 31, 487 (2001); Cao, Y., J. Food Comp. Anal., 29, 106 (2013).

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	134.0579088
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	134.0579088
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8