3-Hydroxypyruvic Acid Lithium Salt - CAS 209728-15-4

Name: 3-Hydroxypyruvic Acid Lithium Salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB056275
Product Name:	3-Hydroxypyruvic Acid Lithium Salt
CAS:	209728-15-4
Synonyms:	3-Hydroxy-2-oxopropanoic Acid Lithium Salt (1:1); Lithium 3-Hydroxypyruvate

Technical Data

IUPAC Name:	lithium3-hydroxy-2-oxopropanoate
Description:	3-Hydroxypyruvic Acid Lithium Salt, can be used for the rapid and reliable measurement of transketolase (TK) activity, via pH-based high-throughput assay method. It can also be used for the preparation of Fagomine, a novel naturally occurring glucose analog.
Molecular Weight:	109.99+18.02
Molecular Formula:	C3H3LiO4·H2O
Canonical SMILES:	[Li+].C(C(=O)C(=O)[O-])O
InChI:	InChI=1S/C3H4O4.Li/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)/q+1/p-1
InChI Key:	ODTOYBROCWIQFM-UHFFFAOYSA-M
Melting Point:	>110°C (dec.)
Solubility:	DMSO (Slightly, Heated), Water (Slightly)
Appearance:	Off-White Solid
Storage:	4°C
References:	Yi, D., et al. ChemBioChem, 13, 2290 (2012); Ranoux, A., et al. Tetrahedron Lett., 53, 790 (2012); Effenberger, F., et al. Liebigs Annalen der Chemie, 11, 1211 (1992).

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	99.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.01913701
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.01913701
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0