Fmoc-β-(3-pyridyl)-Ala-OH - ≥98% , CAS No.175453-07-3

CAS: 175453-07-3 Cat. No.: F101214 Peso molecular: 388.42 Beilstein Registry Number: 9154190 Número EC: 695-867-0

GRADE & PURITY ≥98%

Synonyms

Fmoc-L-(3-pyridyl)alanine | (S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(PYRIDIN-3-YL)PROPANOIC ACID | Fmoc- beta -(3-pyridyl)-Ala-OH | (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-3-yl)propanoic acid | Fmoc-3-(3-pyridyl)-L-alanine

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Fmoc-L-(3-pyridyl)alanine | (S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(PYRIDIN-3-YL)PROPANOIC ACID | Fmoc- beta -(3-pyridyl)-Ala-OH | (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-3-yl)propanoic acid | Fmoc-3-(3-pyridyl)-L-alanine

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764413
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764413
• Sonrisas canónicas: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CN=CC=C4)C(=O)O
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
• InChIKey: JQLPMTXRCLXOJO-NRFANRHFSA-N
• INCHI: 1S/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m0/s1
• Isómeros SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CN=CC=C4)C(=O)O
• WGK Alemania: 3
• Peso molecular: 388.42
• Beilstein: 9154190
• Reaxy-Rn: 22795083
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22795083&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Alpha amino acids and derivatives Pyridines and derivatives Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Pyridine - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 155.3°C
• Peso molecular: 388.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 388.142 Da
• Monoisotopic Mass: 388.142 Da
• Topological Polar Surface Area: 88.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 561.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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