Fmoc-3-(4-piridil)-L-alanina - ≥97%(HPLC) , CAS No.169555-95-7

CAS: 169555-95-7 Cat. No.: P115897 Peso molecular: 388.42 Beilstein Registry Number: 7316905 Número EC: 824-668-5

GRADE & PURITY ≥97%(HPLC)

Synonyms

Fmoc-3-(4-piridil)-L-alanina | AMY354 | (2S)-2-({[(9H-fluoren-9-il)metoxi)carbonil}amino)-3-(piridin-4-il)ácido propanoico | AC-9966 | N-[(9H-Fluoren-9-ilmetoxi)carbonil]-3-(4-piridil)-L-alanina | FMOC-4'-PYRIDYL-L-ALA | (S)-2-(((9H-FLUOREN-9-YL)METHOXY)C

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

Fmoc-3-(4-piridil)-L-alanina | AMY354 | (2S)-2-({[(9H-fluoren-9-il)metoxi)carbonil}amino)-3-(piridin-4-il)ácido propanoico | AC-9966 | N-[(9H-Fluoren-9-ilmetoxi)carbonil]-3-(4-piridil)-L-alanina | FMOC-4'-PYRIDYL-L-ALA | (S)-2-(((9H-FLUOREN-9-YL)METHOXY)C

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504760334
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760334
• Sonrisas canónicas: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=NC=C4)C(=O)O
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
• InChIKey: SCSSXJVRZMQUKA-NRFANRHFSA-N
• INCHI: 1S/C23H20N2O4/c26-22(27)21(13-15-9-11-24-12-10-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(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=CC=NC=C4)C(=O)O
• WGK Alemania: 3
• Peso molecular: 388.42
• Beilstein: 7316905
• Reaxy-Rn: 20592572
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20592572&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 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 heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Pyridine - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - 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

• Solubilidad: Slightly soluble in Dimethylformamide
• Sensibilidad: Heat Sensitive
• Rotación específica [α]: -45° (C=0.2,DMF)
• Punto de fusión (°C): 219 °C(dec.)
• 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: 555.000
• 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