Z-Hyp-OH - ≥99% , CAS No.13504-85-3

CAS: 13504-85-3 Cat. No.: H117059 Fórmula: C₁₃H₁₅NO₅ Peso molecular: 265.26 Beilstein Registry Number: 90295 Número CE: 236-831-2

GRADE & PURITY ≥99%

Synonyms

N-Cbz-trans-4-hydroxy-L-proline | AB05440 | FT-0623521 | MFCD00238423 | 1-(Benzyloxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid | FT-0774174 | 4-hydroxy-pyrrolidine-1,2-dicarboxylic 1-benzyl ester | N-Carbobenzoxy-allo-4-hydroxyproline | (2R,4S)-N-al

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N-Cbz-trans-4-hydroxy-L-proline | AB05440 | FT-0623521 | MFCD00238423 | 1-(Benzyloxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid | FT-0774174 | 4-hydroxy-pyrrolidine-1,2-dicarboxylic 1-benzyl ester | N-Carbobenzoxy-allo-4-hydroxyproline | (2R,4S)-N-al

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504756715

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756715

Sorrisos canónicos

C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)O

IUPAC Name

4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

InChIKey

WWVCWLBEARZMAH-UHFFFAOYSA-N

INCHI

1S/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)

SMILES isoméricas

C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)O

WGK Alemanha

3

Peso molecular

265.26

Beilstein

90295

Reaxy-Rn

422922

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=422922&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: Benzyloxycarbonyls Pyrrolidine carboxylic acids Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic 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

• Solubilidade: Slightly soluble in water.
• Rotação específica [α]: -54° (C=2,EtOH)
• Ponto de fusão (°C): 104-107°C
• Peso molecular: 265.260 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 265.095 Da
• Monoisotopic Mass: 265.095 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1