Fmoc-(R)-3-amino-3-(2-naphthyl)propionic acid - ≥98% , CAS No.511272-48-3

CAS: 511272-48-3 Cat. No.: F337986 Peso molecular: 437.49

GRADE & PURITY ≥98%

Synonyms

E70667 | MFCD03428029 | Fmoc-(R)-3-Amino-3-(2-naphthyl)-propionic acid | DTXSID90426598 | fmoc-(r)-3-amino-3-(2-naphthyl)propanoic acid | AKOS015948807 | PS-12510 | Fmoc-(S)-3-amino-3-(2-naphthyl)propionic acid | (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamin

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

E70667 | MFCD03428029 | Fmoc-(R)-3-Amino-3-(2-naphthyl)-propionic acid | DTXSID90426598 | fmoc-(r)-3-amino-3-(2-naphthyl)propanoic acid | AKOS015948807 | PS-12510 | Fmoc-(S)-3-amino-3-(2-naphthyl)propionic acid | (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamin

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196008
• Sonrisas canónicas: C1=CC=C2C=C(C=CC2=C1)C(CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• IUPAC Name: (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid
• InChIKey: WMWTTXWFWZKELH-AREMUKBSSA-N
• INCHI: 1S/C28H23NO4/c30-27(31)16-26(20-14-13-18-7-1-2-8-19(18)15-20)29-28(32)33-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m1/s1
• Isómeros SMILES: C1=CC=C2C=C(C=CC2=C1)[C@@H](CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• Peso molecular: 437.49
• Reaxy-Rn: 47383212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47383212&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: Naphthalenes Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Naphthalene - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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: 437.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 437.163 Da
• Monoisotopic Mass: 437.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 673.000
• 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