Fmoc-Aph(Hor)-OH - ≥98% , CAS No.1253282-31-3

CAS: 1253282-31-3 Cat. No.: F586787 Peso molecular: 542.54 Número EC: 832-774-8 PubChem CID: 71721449

GRADE & PURITY ≥98%

Synonyms

L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[[[(4S)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]- | Fmoc-Aph(Hor)-OH | 1253282-31-3 | 4-{[(4S)-2,6-Dioxohexahydropyrimidine-4-carbonyl]amino}-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-phenyla

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[[[(4S)-hexahydro-2, 6-dioxo-4-pyrimidinyl]carbonyl]amino]- | Fmoc-Aph(Hor)-OH | 1253282-31-3 | 4-{[(4S)-2, 6-Dioxohexahydropyrimidine-4-carbonyl]amino}-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-phenyla

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

• Pubchem Sid: 504772203
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772203
• Sonrisas canónicas: C1C(NC(=O)NC1=O)C(=O)NC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• IUPAC Name: (2S)-3-[4-[[(4S)-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: TYZSMQUWFLKJFB-ZEQRLZLVSA-N
• INCHI: 1S/C29H26N4O7/c34-25-14-23(31-28(38)33-25)26(35)30-17-11-9-16(10-12-17)13-24(27(36)37)32-29(39)40-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-24H,13-15H2,(H,30,35)(H,32,39)(H,36,37)(H2,31,33,34,38)/t23-,24-/m0/s1
• Isómeros SMILES: C1[C@H](NC(=O)NC1=O)C(=O)NC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• PubChem CID: 71721449
• Peso molecular: 542.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Fluorenes Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Anilides N-arylamides N-acyl ureas Pyrimidones Diazinanes Dicarboximides Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylalanine or derivatives - Fluorene - Alpha-amino acid amide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Anilide - N-arylamide - N-acyl urea - Ureide - Pyrimidone - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Pyrimidine - Dicarboximide - Carbamic acid ester - Secondary carboxylic acid amide - Urea - Carboxamide group - Carbonic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: 542.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 542.18 Da
• Monoisotopic Mass: 542.18 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 959.000
• 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