Acetylmandelic acid, (+)-
featured

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 596438

CAS#: 7322-88-5

Description: Acetylmandelic acid, (+)- is a chiral derivatizing agent for NMR determination of enantiomeric purity of α-deuterated carboxylic acids, alcohols, and amines.


Chemical Structure

img
Acetylmandelic acid, (+)-
CAS# 7322-88-5

Theoretical Analysis

MedKoo Cat#: 596438
Name: Acetylmandelic acid, (+)-
CAS#: 7322-88-5
Chemical Formula: C10H10O4
Exact Mass: 194.06
Molecular Weight: 194.180
Elemental Analysis: C, 61.85; H, 5.19; O, 32.96

Price and Availability

Size Price Availability Quantity
5g USD 270
Bulk inquiry

Synonym: Acetylmandelic acid, (+)-; Mandelic acid, acetate, L-; S-Acetylmandelic acid;

IUPAC/Chemical Name: (S)-2-acetoxy-2-phenylacetic acid

InChi Key: OBCUSTCTKLTMBX-VIFPVBQESA-N

InChi Code: InChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1

SMILES Code: O=C(O)[C@H](C1=CC=CC=C1)OC(C)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 194.18 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Watanabe Y, Miyasou T, Hayashi M. Diastereomixture and racemate of myo-inositol derivatives, stronger organogelators than the corresponding homochiral isomers. Org Lett. 2004 May 13;6(10):1547-50. PubMed PMID: 15128232.

2: Mills SJ, Backers K, Erneux C, Potter BV. Synthesis of D- and L-myo-inositol 1,2,4,6-tetrakisphosphate, regioisomers of myo-inositol 1,3,4,5 tetrakisphosphate: activity against Ins(1,4,5)P3 binding proteins. Org Biomol Chem. 2003 Oct 21;1(20):3546-56. PubMed PMID: 14599016.

3: Schuster A, Götte C, Bernhardt G, Buschauer A. Chiral separation of pheniramine-like 3-phenyl-3-heteroarylpropylamines by CE and HPLC methods. Chirality. 2001 Jun;13(6):285-93. PubMed PMID: 11370017.

4: Horne G, Potter BV. Synthesis of the enantiomers of 6-deoxy-myo-inositol 1,3,4,5-tetrakisphosphate, structural analogues of myo-inositol 1,3,4,5-tetrakisphosphate. Chemistry. 2001 Jan 5;7(1):80-7. PubMed PMID: 11205029.

5: Mills SJ, Potter BV. Synthesis of D- and L-myo-Inositol 1,4,6-Trisphosphate, Regioisomers of a Ubiquitous Second Messenger. J Org Chem. 1996 Dec 13;61(25):8980-8987. PubMed PMID: 11667881.

6: Chen Y, Rosazza JP. Microbial transformation of Ibuprofen by a nocardia species. Appl Environ Microbiol. 1994 Apr;60(4):1292-6. PubMed PMID: 16349237; PubMed Central PMCID: PMC201472.