Adipic acid-d₁₀ - ≥98%,≥98 atom% D , CAS No.25373-21-1

CAS: 25373-21-1 Cat. No.: A471977 Formula: C₆D₁₀O₄ Molecular Weight: 156.20 EC Number: 687-249-4

GRADE & PURITY ≥98%,≥98 atom% D

Synonyms

HY-W017522S | Adipic acid-d10, 98 atom % D | DTXSID20583744 | SCHEMBL1332448 | D99419 | J-015970 | (?H?)hexanedi(?H)oic acid | dideuterio 2,2,3,3,4,4,5,5-octadeuteriohexanedioate | Hexanedioic-d8 acid-d2(9CI) | (~2~H_8_)Hexane(~2~H_2_)dioic acid | Adipic

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Adipic acid-d₁₀ (Hexanedioic acid-d₁₀) is the deuterium labeled Adipic acid. Adipic acid (Hexanedioic acid) with anti-HSV-1 activity. Adipic acid has low toxicity and can be used as a food additive and a gelling agent. Adipic acid can also be used in the synthesis of lubricants, artificial resins, plastics, etc.

Specifications

Synonyms

HY-W017522S | Adipic acid-d10, 98 atom % D | DTXSID20583744 | SCHEMBL1332448 | D99419 | J-015970 | (?H?)hexanedi(?H)oic acid | dideuterio 2,2,3,3,4,4,5,5-octadeuteriohexanedioate | Hexanedioic-d8 acid-d2(9CI) | (~2~H_8_)Hexane(~2~H_2_)dioic acid | Adipic

Specifications & Purity

≥98%,≥98 atom% D

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%,≥98 atom% D

Names and Identifiers

Canonical Smiles

C(CCC(=O)O)CC(=O)O

IUPAC Name

dideuterio 2,2,3,3,4,4,5,5-octadeuteriohexanedioate

InChIKey

WNLRTRBMVRJNCN-YQMDOBQVSA-N

INCHI

1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1D2,2D2,3D2,4D2/hD2

Isomeric SMILES

[2H]C([2H])(C(=O)O[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[2H]

Alternate CAS

124-04-9（unlabeled）

Molecular Weight

156.20

Reaxy-Rn

1209788

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 156.200 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 156.121 Da
• Monoisotopic Mass: 156.121 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 10
• 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