N-Fmoc-L-alanine monohydrate - ≥98% , CAS No.207291-76-7

CAS: 207291-76-7 Cat. No.: F588044 Peso molecular: 329.35 Número EC: 811-758-4 PubChem CID: 18528118

GRADE & PURITY ≥98%

Synonyms

Fmoc-Ala-OH H2O | N-Fmoc-L-alanine Hydrate | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrate | N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-L-alanine--water (1/1) | SCHEMBL3485413 | AS-71655 | L-ALANINE, N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-,

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Product Application:

It is used as a pharmaceutical intermediate.

Specifications

Sinónimos

Fmoc-Ala-OH H2O | N-Fmoc-L-alanine Hydrate | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrate | N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-L-alanine--water (1/1) | SCHEMBL3485413 | AS-71655 | L-ALANINE, N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-,

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrate
• InChIKey: GAPWKFLOMOFHGO-MERQFXBCSA-N
• INCHI: 1S/C18H17NO4.H2O/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21);1H2/t11-;/m0./s1
• Isómeros SMILES: C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O
• PubChem CID: 18528118
• Peso molecular: 329.35

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: Alanine and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alanine or derivatives - Alpha-amino acid or derivatives - 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

• Solubilidad: Insoluble in water
• Peso molecular: 329.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 329.126 Da
• Monoisotopic Mass: 329.126 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 430.000
• 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: 2

XLogP3