2，3-di-hidroxipropanoato de metilo - ≥98% , CAS No.615-34-9

CAS: 615-34-9 Cat. No.: M691100 Fórmula: C₄H₈O₄ Peso molecular: 120.10 Número CE: 893-142-5

GRADE & PURITY ≥98%

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528757737

Sorrisos canónicos

COC(=O)C(CO)O

IUPAC Name

methyl 2,3-dihydroxypropanoate

InChIKey

COFCNNXZXGCREM-UHFFFAOYSA-N

INCHI

1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3

SMILES isoméricas

COC(=O)C(CO)O

Peso molecular

120.10

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Beta hydroxy acids and derivatives Monosaccharides Methyl esters Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Sugar acid - Glyceric_acid - Monosaccharide - Hydroxy acid - Methyl ester - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• 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

Propriedades químicas e físicas

• Peso molecular: 120.100 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 120.042 Da
• Monoisotopic Mass: 120.042 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1