Pimelic acid - 10mM in DMSO , CAS No.111-16-0

CAS: 111-16-0 Cat. No.: P420618 分子式: C₇H₁₂O₄ 分子量: 160.17 Beilstein Registry Number: 1210024 EC番号: 203-840-8

GRADE & PURITY 10mM in DMSO

Synonyms

FT-0657305 | Heptane-1,7-dioate | InChI=1/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11 | NCGC00258723-01 | Pentane-1,5-dicarboxylic acid | F0001-0234 | 1,7-Heptanedioate | 4-02-00-02003 (Beilstein Handbook Reference) | pimelic acid | WLN: QV5VQ

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

FT-0657305 | Heptane-1,7-dioate | InChI=1/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11 | NCGC00258723-01 | Pentane-1,5-dicarboxylic acid | F0001-0234 | 1,7-Heptanedioate | 4-02-00-02003 (Beilstein Handbook Reference) | pimelic acid | WLN: QV5VQ

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528771666

カノニカル・スマイル

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

IUPAC Name

heptanedioic acid

InChIKey

WLJVNTCWHIRURA-UHFFFAOYSA-N

INCHI

1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

異性体SMILES

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

WGKドイツ

2

RTECS

TK3677000

分子量

160.17

Beilstein

1210024

Reaxy-Rn

1210024

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210024&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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: Dicarboxylic acids

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

化学的性質と物理的性質

• 沸点（°C）: 212°C
• 融点（°C）: 103-106°C
• 分子量: 160.170 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 160.074 Da
• Monoisotopic Mass: 160.074 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• 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