Cas no 93523-70-7 (4-methyl-2-oxopentanoic-1-13C acid, sodium salt,)

4-methyl-2-oxopentanoic-1-13C acid, sodium salt, structure

93523-70-7 structure

Product Name:4-methyl-2-oxopentanoic-1-13C acid, sodium salt,

CAS No:93523-70-7

MF:C₆H₁₀NaO₃

MW:154.124228000641

CID:876498

PubChem ID:24872298

Update Time:2024-10-26

4-methyl-2-oxopentanoic-1-13C acid, sodium salt, Chemical and Physical Properties

Names and Identifiers

- 4-methyl-2-oxopentanoic-1-13C acid, sodium salt,
- sodium,4-methyl-2-oxopentanoate
- 4-Methyl-2-oxopentanoic-1-13C acid
- 2-Keto-4-methylpentanoic-1-13C acid sodium salt
- DTXSID40635678
- 2-Keto-4-methylpentanoic acid-1-13C sodium salt
- 2-Keto-4-methylpentanoic-1-13C acid sodium salt, 99 atom % 13C
- HY-W012722BS1
- Sodium;4-methyl-2-oxo(113C)pentanoate
- Sodium 4-methyl-2-oxo(1-~13~C)pentanoate
- 4-METHYL-2-OXOPENTANOIC-1-13C ACID SOD&
- ALPHA-KETOISOCAPROIC ACID, SODIUM SALT (1-13C, 99%)
- 4-Methyl-2-oxopentanoic-1-13c acid,sodi um salt,99 atom % 13c
- SCHEMBL1332054
- CS-0226216
- AKOS015894427
- 93523-70-7
- 4-Methyl-2-oxopentanoic acid-13C (sodium)
- MDL： MFCD00084073
- Inchi： 1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/i6+1;
- InChI Key： NVPLKQSQRQOWCP-NWZHYJCUSA-N
- SMILES： C(=O)([13C](=O)O)CC(C)C.[Na]

Computed Properties

Exact Mass: 153.04829326g/mol
Monoisotopic Mass: 153.04829326g/mol
Isotope Atom Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 10
Rotatable Bond Count: 3
Complexity: 131
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: 2
XLogP3: nothing
Topological Polar Surface Area: 57.2?2

Experimental Properties

Color/Form: solid
Melting Point: 280?°C (dec.) (lit.)

4-methyl-2-oxopentanoic-1-13C acid, sodium salt, Security Information

Hazardous Material transportation number：NONH for all modes of transport
WGK Germany：3

4-methyl-2-oxopentanoic-1-13C acid, sodium salt, Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time	Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	SA01864-250mg	4-methyl-2-oxopentanoic-1-13C acid, sodium salt,	93523-70-7	-	250mg	￥3808.0	2024-07-19
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.	487716-250MG	4-methyl-2-oxopentanoic-1-13C acid, sodium salt,	93523-70-7		250mg	￥2988.49	2023-12-05

4-methyl-2-oxopentanoic-1-13C acid, sodium salt, Production Method

Production Method 1

1579862-94-4

93523-70-7

Reaction Conditions

1.1 Reagents: Sodium hydroxide Solvents: Water ; 5 h, 100 °C; 100 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified, 0 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ; pH 7 - 8

Reference

: Selective Isotope Labelling of Leucine Residues by Using α-Ketoacid Precursor Compounds

Lichtenecker, Roman J.; Coudevylle, Nicolas; Konrat, Robert; Schmid, Walther, ChemBioChem, 2013, 14(7), 818-821