Sodium phenylpyruvate - CAS 114-76-1

Catalog:	BB003428
Product Name:	Sodium phenylpyruvate
CAS:	114-76-1
Synonyms:	sodium;2-oxo-3-phenylpropanoate

Technical Data

Patents

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Computed Properties

IUPAC Name:	sodium;2-oxo-3-phenylpropanoate
Description:	Sodium phenylpyruvate (CAS# 114-76-1) is a useful research chemical.
Molecular Weight:	186.14
Molecular Formula:	C9H7NaO3
Canonical SMILES:	C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]
InChI:	InChI=1S/C9H8O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);/q;+1/p-1
InChI Key:	MQGYVGKMCRDEAF-UHFFFAOYSA-M
Boiling Point:	299.1 °C at 760 mmHg
Density:	1.257 g/cm³
Solubility:	Soluble in water
Appearance:	White crystalline powder
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00002590
LogP:	-0.45190

Publication Number	Title	Priority Date
WO-2021108427-A1	Excipient compounds for biopolymer formulations	20191126
WO-2021072050-A1	Excipient compounds for protein formulations	20191008
WO-2020223102-A1	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20190501
WO-2020130067-A1	Method for producing carbonyl compound	20181220
US-2020362375-A1	Alcohol Dehydrogenase Mutant and Application thereof in Cofactor Regeneration	20181030

PMID	Publication Date	Title	Journal
22477023	20121001	Phenylpyruvic acid decreases glucose-6-phosphate dehydrogenase activity in rat brain	Cellular and molecular neurobiology
22261863	20120501	Characterization of D-lactate dehydrogenase from Pediococcus acidilactici that converts phenylpyruvic acid into phenyllactic acid	Biotechnology letters
22158714	20120201	Resolving phenylalanine metabolism sheds light on natural synthesis of penicillin G in Penicillium chrysogenum	Eukaryotic cell
22484960	20120101	Characterization of D-lactate dehydrogenase producing D-3-phenyllactic acid from Pediococcus pentosaceus	Bioscience, biotechnology, and biochemistry
21672638	20111201	Novel fungal phenylpyruvate reductase belongs to d-isomer-specific 2-hydroxyacid dehydrogenase family	Biochimica et biophysica acta

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.02928836
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.02928836
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0