(2R，4S)-4-Alloc-amino-1-Fmoc-Pyrrolidine-2-carboxylic acid - ≥95% , CAS No.549534-58-9

CAS: 549534-58-9 Cat. No.: A733726 Peso molecular: 436.5 PubChem CID: 53484866

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C=CCOC(=O)NC1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
• IUPAC Name: (2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(prop-2-enoxycarbonylamino)pyrrolidine-2-carboxylic acid
• InChIKey: DSGCPQRUOSTFEF-YCRPNKLZSA-N
• INCHI: 1S/C24H24N2O6/c1-2-11-31-23(29)25-15-12-21(22(27)28)26(13-15)24(30)32-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h2-10,15,20-21H,1,11-14H2,(H,25,29)(H,27,28)/t15-,21+/m0/s1
• Isómeros SMILES: C=CCOC(=O)N[C@H]1C[C@@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
• PubChem CID: 53484866
• Peso molecular: 436.5

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: Proline and derivatives Pyrrolidine carboxylic acids Carbamate esters 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 - Proline or derivatives - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Carbamic acid ester - Pyrrolidine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - 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

• Peso molecular: 436.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 436.163 Da
• Monoisotopic Mass: 436.163 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 705.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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