cis-4-Hydroxy-L-proline, HCl - ≥97% , CAS No.441067-49-8

CAS: 441067-49-8 Cat. No.: C184557 Molecular Weight: 167.59

GRADE & PURITY ≥97%

Synonyms

EN300-221932 | AC-25586 | Not available;cis-4-Hydroxy-L-proline hydrochloride | (4S)-4-hydroxy-L-proline hydrochloride | (2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acidhydrochloride | SCHEMBL6335808 | (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

EN300-221932 | AC-25586 | Not available;cis-4-Hydroxy-L-proline hydrochloride | (4S)-4-hydroxy-L-proline hydrochloride | (2S, 4S)-4-Hydroxypyrrolidine-2-carboxylic acidhydrochloride | SCHEMBL6335808 | (2S, 4S)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochl

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504769404
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769404
• Canonical Smiles: C1C(CNC1C(=O)O)O.Cl
• IUPAC Name: (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
• InChIKey: YEJFFQAGTXBSTI-MMALYQPHSA-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
• Isomeric SMILES: C1[C@@H](CN[C@@H]1C(=O)O)O.Cl
• Molecular Weight: 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
    • Class 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
• Class: 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: L-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 - L-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
• 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: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Molecular Weight: 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

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