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Indolelactic acid

CAT: 0013-GTR19156877-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156877-02Size:200 mg
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Description
Indolelactic acid is a metabolite of tryptophan in Azotobacter vinelandii cultures.
CAS Number
1821-52-9
Purity
>98% (HPLC)
Solubility
DMSO:82 mg/mL (399.59mM; Need ultrasonic)
Smiles
O=C (O) C (O) Cc2cnc1ccccc12
Molecular Formula
C11H11NO3
Molecular Weight
205.21
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Indole-3-lactic acid

3-(indol-3-yl)lactic acid is a hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan. It has a role as a human metabolite. It is an indol-3-yl carboxylic acid and a hydroxy monocarboxylic acid. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-(indol-3-yl)lactate.

CAS Number1821-52-9
PubChem CID92904
IUPAC Name2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Molecular FormulaC11H11NO3
Molecular Weight205.21
XLogP1.5
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity244
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O
InChI
InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
InChIKey
XGILAAMKEQUXLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indole-3-lactic acid
CAS: 1821-52-9
CID: 92904
Formula: C11H11NO3
MW: 205.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.21
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass205.07389321
Monoisotopic Mass205.07389321
Topological Polar Surface Area73.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
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