Fmoc-(S)-3-amino-3-(2-bromophenyl)propionic acid - ≥96% , CAS No.507472-17-5

CAS: 507472-17-5 Cat. No.: F338012 Peso molecular: 466.3 PubChem CID: 7023385

GRADE & PURITY ≥96%

Synonyms

PS-12381 | Fmoc-(S)-3-amino-3-(2-bromophenyl)propionic acid | Fmoc-(S)-3-Amino-3-(2-bromo-phenyl)-propionic acid | fmoc-(s)-3-amino-3-(2-bromophenyl)propanoic acid | MFCD03427999 | (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(2-bromophenyl)propanoic

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

PS-12381 | Fmoc-(S)-3-amino-3-(2-bromophenyl)propionic acid | Fmoc-(S)-3-Amino-3-(2-bromo-phenyl)-propionic acid | fmoc-(s)-3-amino-3-(2-bromophenyl)propanoic acid | MFCD03427999 | (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(2-bromophenyl)propanoic

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Pubchem Sid: 504764685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764685
• Sonrisas canónicas: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=CC=C4Br
• IUPAC Name: (3S)-3-(2-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: DXTFQBWZFOPYGV-QFIPXVFZSA-N
• INCHI: 1S/C24H20BrNO4/c25-21-12-6-5-11-19(21)22(13-23(27)28)26-24(29)30-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
• Isómeros SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=CC=CC=C4Br
• PubChem CID: 7023385
• Peso molecular: 466.3

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: Phenylpropanoic acids Bromobenzenes Aryl bromides Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - 3-phenylpropanoic-acid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic homopolycyclic 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

• Peso molecular: 466.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 465.058 Da
• Monoisotopic Mass: 465.058 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 592.000
• 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