(2S,3S)-Viridifloric Acid - CAS 17132-48-8

Catalog:	BB056912
Product Name:	(2S,3S)-Viridifloric Acid
CAS:	17132-48-8
Synonyms:	(2S,3S)-2,3-Dihydroxy-2-isopropylbutanoic Acid; [S-(R,R)]-2,3-Dihydroxy-2-(1-methylethyl)butanoic Acid; (2S,3S)-2,3-Dihydroxy-2-isopropylbutyric Acid; (-)-(2'S,3'S)-Viridifloric Acid; (-)-Viridifloric Acid; (-)-Viridiflorinoic Acid; (-)-(2S,3S)-Viridifloric Acid

Technical Data

IUPAC Name:	(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid
Description:	(2S,3S)-Viridifloric Acid is an intermediate in the synthesis of (+)-Lycopsamine (L487525), which occurs in pyrrolizidine alkaloid-containing plants, which are the most common poisonous plants affecting livestock, wildlife, and humans. They are being known as hepatotoxins and tumorigens.It has been shown that pyrrolizidine Alkaloid-Derived DNA Adducts, are the common biological biomarker of pyrrolizidine alkaloid-induced liver tumor formation.
Molecular Weight:	162.18
Molecular Formula:	C7H14O4
Canonical SMILES:	CC(C)C(C(C)O)(C(=O)O)O
InChI:	InChI=1S/C7H14O4/c1-4(2)7(11,5(3)8)6(9)10/h4-5,8,11H,1-3H3,(H,9,10)/t5-,7-/m0/s1
InChI Key:	KXEISHUBUXWXGY-FSPLSTOPSA-N
References:	Zalkow, L.H., et. al. J. Med. Chem., 28, 687 (1985); Qingsu, X., et al. Chem. Res. Toxic., 26, 1384 (2013); Bosi,, C. F., et al. Revista Brasileira de Farmacognosia, 23, 425 (2013).

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	162.08920892
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	162.08920892
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1