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3-Indoleacetic acid-d5 - 99%, high purity , CAS No.76937-78-5

COA

Grade & Purity:

≥99%

Cas Number: 76937-78-5
Molecular Weight: 180.21
PubChem CID: 54301591

In stock

Item Number

I646189

Grouped product items
SKU	Size	Availability	Price
I646189-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
I646189-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90
I646189-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$280.90

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Metabolite (5307)

Basic Description

Synonyms	Indole-2,4,5,6,7-d5-3-acetic acid, 98 atom % D, 98% (CP) \| HY-18569S \| SCHEMBL1332218 \| 3-Indoleacetic acid-D5 \| D98707 \| Indole-2,4,5,6,7-d5-3-acetic acid \| MS-22958 \| DTXSID90710429 \| [(2,4,5,6,7-~2~H_5_)-1H-Indol-3-yl]acetic acid \| 2-[(2,4,5,6,7-?H?)-1
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	3-Indoleacetic acid-d 5 is the deuterium labeled 3-Indoleacetic acid. 3-Indoleacetic acid-d 5 can be used as internal standard for assay of IAA releases by alkaline hydrolysis of ester and amide conjugates.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	3-Indoleacetic acid-d 5 is the deuterium labeled 3-Indoleacetic acid. 3-Indoleacetic acid-d 5 can be used as internal standard for assay of IAA releases by alkaline hydrolysis of ester and amide conjugates. Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolyl carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indole-3-acetic acid derivatives
Alternative Parents	3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole-3-acetic acid derivative - 3-alkylindole - Indole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)acetic acid
INCHI	InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D
InChIKey	SEOVTRFCIGRIMH-SNOLXCFTSA-N
Smiles	C1=CC=C2C(=C1)C(=CN2)CC(=O)O
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H]
Molecular Weight	180.21
Reaxy-Rn	143358
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143358&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 100 mg/mL (554.91 mM; Need ultrasonic)
Molecular Weight	180.210 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	180.095 Da
Monoisotopic Mass	180.095 Da
Topological Polar Surface Area	53.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205.000
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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