cis-4-Hydroxy-D-proline - ≥98%(HPLC) , CAS No.2584-71-6

CAS: 2584-71-6 Cat. No.: I132870 Formule: C₅H₉NO₃ Poids moléculaire: 131.13 Numéro CE: 219-963-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

NSC 524341 | 4-hydroxyproline | cis-4-Hydroxy-D-proline | cis4-hydroxy-D-proline | HY-W008129 | SCHEMBL85624 | (2R,4R)-(+)-4-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID | H1358 | (2R,4R)-4-hydroxy pyrrolidine-2-carboxylic acid | cis-4-Hydroxy-D-proline, Vetec(TM

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

NSC 524341 | 4-hydroxyproline | cis-4-Hydroxy-D-proline | cis4-hydroxy-D-proline | HY-W008129 | SCHEMBL85624 | (2R,4R)-(+)-4-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID | H1358 | (2R,4R)-4-hydroxy pyrrolidine-2-carboxylic acid | cis-4-Hydroxy-D-proline, Vetec(TM

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 488189760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189760
• Sourires canoniques: C1C(CNC1C(=O)O)O
• IUPAC Name: (2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid
• InChIKey: PMMYEEVYMWASQN-QWWZWVQMSA-N
• INCHI: 1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
• Isomères SMILES: C1[C@H](CN[C@H]1C(=O)O)O
• Poids moléculaire: 131.13
• Reaxy-Rn: 81437
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81437&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 Organopnictogen compounds Organic oxides 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 - 1,2-aminoalcohol - Amino acid - Secondary alcohol - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: 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: 4-hydroxyproline

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in 100 mg/ml of H2O
• Sensibilité: Air Sensitive
• Rotation spécifique [α]: 58° (C=2,H2O)
• Point de fusion (°C): 248°C(dec.)(lit.)
• Poids moléculaire: 131.130 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 131.058 Da
• Monoisotopic Mass: 131.058 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 9
• 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: 1

Références

1. Xuexia Xu, Qin Yang, Lanteng Wang, Jie Zheng, Yang Gu, Xiwen Xing, Jiahai Zhou.  (2023)  Enzymatic hydrolysis of L-azetidine-2-carboxylate ring opening.  Catalysis Science & Technology,  13  (13): (3953-3962).  [PMID:] [10.1039/D3CY00366C]

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2584-71-6, the molecular formula is C5H9NO3, and the molecular weight is 131.13 g/mol. InChIKey PMMYEEVYMWASQN-QWWZWVQMSA-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.