Traumatic Acid - 10mM in DMSO , CAS No.6402-36-4

CAS: 6402-36-4 Cat. No.: T425249 분자식: C₁₂H₂₀O₄ 분자량: 228.29 EC 번호: 229-019-4 PubChem CID: 5283028

GRADE & PURITY 10mM in DMSO

Synonyms

CHEBI:545687 | Traumatic acid | trau-matic acid | D0029 | NSC8125 | NSC-8125 | TRAUMATIC ACID FOR PROSTAGLANDIN 99% | dodec-2-enedioate | 2-Dodecenedioic acid, (2E)- | UNII-L7ND24937H | 2-Dodecenedioate | SR-01000946624 | 2-dodecendioic acid | 2-Dodecened

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

CHEBI:545687 | Traumatic acid | trau-matic acid | D0029 | NSC8125 | NSC-8125 | TRAUMATIC ACID FOR PROSTAGLANDIN 99% | dodec-2-enedioate | 2-Dodecenedioic acid, (2E)- | UNII-L7ND24937H | 2-Dodecenedioate | SR-01000946624 | 2-dodecendioic acid | 2-Dodecened

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528771863

정식 스마일

C(CCCCC(=O)O)CCCC=CC(=O)O

IUPAC Name

(E)-dodec-2-enedioic acid

InChIKey

MAZWDMBCPDUFDJ-VQHVLOKHSA-N

INCHI

1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+

이성체 SMILES

C(CCCCC(=O)O)CCC/C=C/C(=O)O

PubChem CID

5283028

분자량

228.29

Reaxy-Rn

1725762

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: Medium-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Unsaturated 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 165 °C
• 분자량: 228.280 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 228.136 Da
• Monoisotopic Mass: 228.136 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1