trans-4-Hydroxy-D-proline hydrochloride - ≥97% , CAS No.142347-81-7

CAS: 142347-81-7 Cat. No.: R174124 Fórmula: C₅H₁₀ClNO₃ Peso molecular: 167.59 Número CE: 676-092-7

GRADE & PURITY ≥97%

Synonyms

D-Proline, 4-hydroxy-, hydrochloride, trans- (9CI) | DTXSID10661343 | YEJFFQAGTXBSTI-RFKZQXLXSA-N | (2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride | (4S)-4-Hydroxy-D-proline--hydrogen chloride (1/1) | HY-W003511 | D-Proline, 4-hydroxy-, hydr

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

D-Proline, 4-hydroxy-, hydrochloride, trans- (9CI) | DTXSID10661343 | YEJFFQAGTXBSTI-RFKZQXLXSA-N | (2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride | (4S)-4-Hydroxy-D-proline--hydrogen chloride (1/1) | HY-W003511 | D-Proline, 4-hydroxy-, hydr

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504770498

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770498

Sorrisos canónicos

C1C(CNC1C(=O)O)O.Cl

IUPAC Name

(2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride

InChIKey

YEJFFQAGTXBSTI-RFKZQXLXSA-N

INCHI

1S/C5H9NO3.ClH/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);1H/t3-,4+;/m0./s1

SMILES isoméricas

C1[C@@H](CN[C@H]1C(=O)O)O.Cl

Peso molecular

167.59

Reaxy-Rn

13646904

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13646904&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: D-alpha-amino acids Pyrrolidine carboxylic acids Secondary alcohols Amino acids 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid - D-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Amino acid - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Carboxylic acid - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrochloride - Carbonyl group - Amine - Organic nitrogen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: 167.590 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.035 Da
• Monoisotopic Mass: 167.035 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 142347-81-7, the molecular formula is C5H10ClNO3, and the molecular weight is 167.59 g/mol. InChIKey YEJFFQAGTXBSTI-RFKZQXLXSA-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.