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DL -34-Dihydroxymandelic acid

CAT: 1410-M20114-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M20114-01Size:1 mL x 10 mM in DMSO
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Description
34-Dihydroxymandelic acid is a minor metabolite of norepinephrine in humans. Patients with neuroblastoma experience elevated levels of 34-Dihydroxymandelic acid.
CAS Number
14883-87-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
184.15
Molecular Formula
C8H8O5
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

(+-)-3,4-Dihydroxymandelic acid

3,4-dihydroxymandelic acid is a catechol that is the 3,4-dihydroxy derivative of mandelic acid; a metabolite of L-dopa. It has a role as an antioxidant, a drug metabolite, a mouse metabolite and a human metabolite. It is a member of catechols and a 2-hydroxy monocarboxylic acid. It is functionally related to a mandelic acid. It is a conjugate acid of a 3,4-dihydroxymandelate.

CAS Number14883-87-5
PubChem CID85782
IUPAC Name2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
Molecular FormulaC8H8O5
Molecular Weight184.15
XLogP-0.6
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
C1=CC(=C(C=C1C(C(=O)O)O)O)O
InChI
InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
InChIKey
RGHMISIYKIHAJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-3,4-Dihydroxymandelic acid
CAS: 14883-87-5
CID: 85782
Formula: C8H8O5
MW: 184.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.15
XLogP3-0.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass184.03717335
Monoisotopic Mass184.03717335
Topological Polar Surface Area98 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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