3-Methyl-2-oxopentanoic acid sodium salt - CAS 3715-31-9

Catalog:	BB023209
Product Name:	3-Methyl-2-oxopentanoic acid sodium salt
CAS:	3715-31-9
Synonyms:	sodium;3-methyl-2-oxopentanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	sodium;3-methyl-2-oxopentanoate
Description:	3-Methyl-2-oxopentanoic acid sodium salt (CAS# 3715-31-9) is an α-ketomonocarboxylic acid that triggers insulin release by acting upon receptor sites which differ from those occupied by amino acids. 4-Methyl-2-oxovaleric Acid is an analogue of Isoleucine.
Molecular Weight:	152.12
Molecular Formula:	C6H9NaO3
Canonical SMILES:	CCC(C)C(=O)C(=O)[O-].[Na+]
InChI:	InChI=1S/C6H10O3.Na/c1-3-4(2)5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
InChI Key:	SMDJDLCNOXJGKC-UHFFFAOYSA-M
Solubility:	Soluble in water
Appearance:	White powder
LogP:	-0.64850

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
TW-202104587-A	Cell culture media comprising keto acids	20190411
US-2020033361-A1	Detection and Quantitation Method for Proteomics of Post-Translational Modifications	20170324
CN-105121433-A	Novel compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient	20121214
CN-105121433-B	Antiviral compound, its pharmaceutically acceptable salt or optical isomer, the method for preparing them and the pharmaceutical composition for being used to prevent or treat viral disease for containing the same as active ingredient	20121214

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Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.04493843
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.04493843
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0