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Mandelic acid

CAT: 0013-GTR19158716-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158716-02Size:500 mg
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Description
Mandelic acid, (R) - is an aromatic alpha hydroxy acid. It is a white crystalline solid that is soluble in water and polar organic solvents. It is a useful precursor to various drugs. The molecule is chiral. The racemic mixture is known as paramandelic acid.
CAS Number
611-71-2
Product Name Alternative
Mandelic acid, (R) - | Mandelic acid, D-
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (657.25 mM)
Smiles
C1=CC=C (C=C1) C (C (=O) O) O
Molecular Formula
C8H8O3
Molecular Weight
152.14
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(R) -2-hydroxy-2-phenylacetic acid

Chemical Information

(-)-Mandelic acid

(R)-mandelic acid is the (R)-enantiomer of mandelic acid. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a (R)-mandelate. It is an enantiomer of a (S)-mandelic acid.

CAS Number611-71-2
PubChem CID11914
IUPAC Name(2R)-2-hydroxy-2-phenylacetic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP0.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC=C(C=C1)[C@H](C(=O)O)O
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
InChIKey
IWYDHOAUDWTVEP-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of (-)-Mandelic acid
CAS: 611-71-2
CID: 11914
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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