trans-4-Hydroxy-D-proline - ≥97% , CAS No.3398-22-9

CAS: 3398-22-9 Cat. No.: I134121 Molecular Weight: 131.13 EC Number: 625-221-5

GRADE & PURITY ≥97%

Synonyms

Q-102876 | J-019406 | Lincomyocin | D-Proline, 4-hydroxy-, (4S)- | trans-4-Hydroxy-D-proline | (2R,4S)-4-hydroxypyrrolidin-1-ium-2-carboxylate | DS-14000 | EN300-91230 | UY7 | beta-Thioguanosine deoxyriboside | (4S)-4-hydroxy-D-proline | AKOS006349670 | (

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Q-102876 | J-019406 | Lincomyocin | D-Proline, 4-hydroxy-, (4S)- | trans-4-Hydroxy-D-proline | (2R, 4S)-4-hydroxypyrrolidin-1-ium-2-carboxylate | DS-14000 | EN300-91230 | UY7 | beta-Thioguanosine deoxyriboside | (4S)-4-hydroxy-D-proline | AKOS006349670 | (

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504758729
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758729
• Canonical Smiles: C1C(CNC1C(=O)O)O
• IUPAC Name: (2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid
• InChIKey: PMMYEEVYMWASQN-IUYQGCFVSA-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+/m0/s1
• Isomeric SMILES: C1[C@@H](CN[C@H]1C(=O)O)O
• WGK Germany: 3
• Molecular Weight: 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
    • 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: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 260°C
• Molecular Weight: 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

References

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]