(S)-3-(4-Chlorophenyl)-3-(Fmoc-amino)propionic acid - ≥95% , CAS No.479064-91-0

CAS: 479064-91-0 Cat. No.: S137609 Peso molecular: 421.88 Número EC: 183-946-8

GRADE & PURITY ≥95%

Synonyms

(S)-3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID | DTXSID50427506 | (S)-3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOICACID | (S)-3-(FMOC-AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID | (3S)-3-(4-Chlor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(S)-3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID | DTXSID50427506 | (S)-3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOICACID | (S)-3-(FMOC-AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID | (3S)-3-(4-Chlor

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504764684
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764684
• Sonrisas canónicas: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=C(C=C4)Cl
• IUPAC Name: (3S)-3-(4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: VDMPMJZDURHZTB-QFIPXVFZSA-N
• INCHI: 1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,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=C(C=C4)Cl
• Peso molecular: 421.88
• Reaxy-Rn: 8942598
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8942598&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: Phenylpropanoic acids Chlorobenzenes Aryl chlorides Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - 3-phenylpropanoic-acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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: 421.900 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 421.108 Da
• Monoisotopic Mass: 421.108 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 584.000
• 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