Valeric Acid-d9 - ≥98 atom% D,≥98% , CAS No.115871-50-6

CAS: 115871-50-6 Cat. No.: V302252 Molecular Weight: 111.19 EC Number: 693-241-1

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

A935643 | J-003329 | 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoic acid | Pentanoic-d9 acid | D99088 | Valeric-d9 acid | (~2~H_9_)Pentanoic acid | SCHEMBL7937405 | Valeric Acid-d9 | DTXSID60672929 | Pentanoic Acid-d9 | (?H?)pentanoic acid | pentanoic-d9 | Valer

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Product Application:

Valeric Acid-d9 is the isotope labelled analog of Valeric Acid which is used in biological studies of (D)-b-hydroxybutyrate which inhibits adipocyte lipolysis via the nicotinic acid receptor PUMA-G.

Specifications

Synonyms

A935643 | J-003329 | 2, 2, 3, 3, 4, 4, 5, 5, 5-nonadeuteriopentanoic acid | Pentanoic-d9 acid | D99088 | Valeric-d9 acid | (~2~H_9_)Pentanoic acid | SCHEMBL7937405 | Valeric Acid-d9 | DTXSID60672929 | Pentanoic Acid-d9 | (?H?)pentanoic acid | pentanoic-d9 | Valer

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Action Type

ACTIVATOR

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Pubchem Sid: 504770662
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770662
• Canonical Smiles: CCCCC(=O)O
• IUPAC Name: 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoic acid
• InChIKey: NQPDZGIKBAWPEJ-YNSOAAEFSA-N
• INCHI: 1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/i1D3,2D2,3D2,4D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
• Alternate CAS: 109-52-4（unlabeled）
• Molecular Weight: 111.19

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: Straight chain fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Straight chain fatty acid - Monocarboxylic 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 straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• 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

• Solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly). Methanol (Slightly)
• Sensitivity: Moisture and light sensitive
• Refractive Index: n20/D 1.4076 (lit.)
• Flash Point(°C): 12.2°C
• Boil Point(°C): 103.7°C at 760 mmHg
• Melt Point(°C): -20-18 °C (lit.)
• Molecular Weight: 111.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 111.125 Da
• Monoisotopic Mass: 111.125 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.100
• Isotope Atom Count: 9
• 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