Phosphoglycolic Acid , CAS No.13147-57-4

CAS: 13147-57-4 Cat. No.: P342590 분자식: C₂H₅O₆P 분자량: 156.03 PubChem CID: 529

Synonyms

1lyx | 2-phosphonatoglycolate | (Phosphonooxy)acetic acid | (phosphonooxy)-acetic acid | 1egh | 2-(phosphonooxy)acetic acid | ACETIC ACID, 2-(PHOSPHONOOXY)- | Glycolic acid phosphate | DTXSID60157064 | 1aw1 | Glycolic acid-2-phosphate | 1hti | 1kv5 | 1s89

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

1lyx | 2-phosphonatoglycolate | (Phosphonooxy)acetic acid | (phosphonooxy)-acetic acid | 1egh | 2-(phosphonooxy)acetic acid | ACETIC ACID, 2-(PHOSPHONOOXY)- | Glycolic acid phosphate | DTXSID60157064 | 1aw1 | Glycolic acid-2-phosphate | 1hti | 1kv5 | 1s89

보관 조건

Store at 2-8°C

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

이름과 식별자

• 정식 스마일: C(C(=O)O)OP(=O)(O)O
• IUPAC Name: 2-phosphonooxyacetic acid
• InChIKey: ASCFNMCAHFUBCO-UHFFFAOYSA-N
• INCHI: 1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
• 이성체 SMILES: C(C(=O)O)OP(=O)(O)O
• PubChem CID: 529
• 분자량: 156.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Monoalkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Monoalkyl phosphates
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkyl phosphate - 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 monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
• External Descriptors: carboxyalkyl phosphate

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): 93-100° C
• 분자량: 156.030 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 155.982 Da
• Monoisotopic Mass: 155.982 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 145.000
• 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

자주 묻는 질문

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13147-57-4, the molecular formula is C2H5O6P, and the molecular weight is 156.03 g/mol. InChIKey ASCFNMCAHFUBCO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.