Fmoc-L-2-amino-4-bromo-4-pentenoic acid - ≥97% , CAS No.220497-60-9

CAS: 220497-60-9 Cat. No.: F338578 Molecular Weight: 416.27

GRADE & PURITY ≥97%

Synonyms

(S)-N-FMOC-(2-Bromoallyl)glycine; | A878777 | AKOS015949661 | Fmoc-L-2-Amino-4-bromo-4-pentenoic acid | (9H-Fluoren-9-yl)MethOxy]Carbonyl L-2-Amino-4-bromo-4-pentenoic acid | (2S)-4-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic Acid | (2S)-4-b

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(S)-N-FMOC-(2-Bromoallyl)glycine; | A878777 | AKOS015949661 | Fmoc-L-2-Amino-4-bromo-4-pentenoic acid | (9H-Fluoren-9-yl)MethOxy]Carbonyl L-2-Amino-4-bromo-4-pentenoic acid | (2S)-4-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic Acid | (2S)-4-b

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 504761141
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761141
• Canonical Smiles: C=C(CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)Br
• IUPAC Name: (2S)-4-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
• InChIKey: BYQROHMHEGJMPD-SFHVURJKSA-N
• INCHI: 1S/C20H18BrNO4/c1-12(21)10-18(19(23)24)22-20(25)26-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,1,10-11H2,(H,22,25)(H,23,24)/t18-/m0/s1
• Isomeric SMILES: C=C(C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)Br
• Molecular Weight: 416.27
• Reaxy-Rn: 48350973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48350973&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 Halogenated fatty acids Carbamate esters Organic carbonic acids and derivatives Vinyl bromides Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Halogenated fatty acid - Fatty acyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Organic oxide - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic homopolycyclic 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

• Molecular Weight: 416.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 415.042 Da
• Monoisotopic Mass: 415.042 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 530.000
• 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