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

CAS: 175453-07-3 Cat. No.: F101214 Molecular Weight: 388.42 Beilstein Registry Number: 9154190 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764413
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764413
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CN=CC=C4)C(=O)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 155.3°C
• Molecular Weight: 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