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

CAS: 115871-50-6 Cat. No.: V302252 분자식: CD₃(CD₂)₃CO₂H 분자량: 111.19 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98 atom% D,≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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작업 유형

ACTIVATOR

순수함

≥98 atom% D,≥98%

이름과 식별자

Pubchem Sid

504770662

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770662

정식 스마일

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

이성체 SMILES

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

대체 CAS

109-52-4（unlabeled）

분자량

111.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Chloroform (Sparingly), Ethyl Acetate (Slightly). Methanol (Slightly)
• 감도: Moisture and light sensitive
• 굴절률: n20/D 1.4076 (lit.)
• 발화점(°C): 12.2°C
• 끓는점(°C): 103.7°C at 760 mmHg
• 녹는점(°C): -20-18 °C (lit.)
• 분자량: 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