Acetylmandelic acid, (+)-
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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

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

Theoretical Analysis

MedKoo Cat#: 596438
Name: Acetylmandelic acid, (+)-
CAS#: 7322-88-5
Chemical Formula: C10H10O4
Exact Mass: 194.0579
Molecular Weight: 194.18
Elemental Analysis: C, 61.85; H, 5.19; O, 32.96

Price and Availability

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5.0g USD 270.0 2 Weeks
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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

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

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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.

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