(Z)-2-((2-Ethoxy-2-oxoethoxy)imino)-2-(2-formamidothiazol-4-yl)acetic Acid - CAS 68401-60-5

Catalog:	BB070561
Product Name:	(Z)-2-((2-Ethoxy-2-oxoethoxy)imino)-2-(2-formamidothiazol-4-yl)acetic Acid
CAS:	68401-60-5
Synonyms:	(αZ)-α-[(2-Ethoxy-2-oxoethoxy)imino]-2-(formylamino)-4-thiazoleacetic Acid

Technical Data

IUPAC Name:	(2Z)-2-(2-ethoxy-2-oxoethoxy)imino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
Description:	(Z)-2-((2-Ethoxy-2-oxoethoxy)imino)-2-(2-formamidothiazol-4-yl)acetic Acid is used in the synthesis of FK482, an antibacterial agent with good oral absorpiton
Molecular Weight:	315.3
Molecular Formula:	C11H13N3O6S
Canonical SMILES:	CCOC(=O)CON=C(C1=CSC(=N1)NC=O)C(=O)O
InChI:	InChI=1S/C10H11N3O6S/c1-2-18-7(15)3-19-13-8(9(16)17)6-4-20-10(12-6)11-5-14/h4-5H,2-3H2,1H3,(H,16,17)(H,11,12,14)/b13-8-
InChI Key:	VZRKYOWOWILIHD-JYRVWZFOSA-N
Melting Point:	>135°C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Light Brown Solid
Storage:	-20°C
References:	Inamoto, Y., et. al. Yakugaku Zasshi, 110, 246 (1990); Bian, L. et al. Yao. Fen. Zaz., 30, 872 (2010).

Complexity:	403
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	301.03685625
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	301.03685625
Rotatable Bond Count:	8
Topological Polar Surface Area:	155Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1