Fmoc-Ile-OPfp - ≥98% , CAS No.86060-89-1

CAS: 86060-89-1 Cat. No.: I115942 Peso molecular: 519.46 Beilstein Registry Number: 4221390 Número EC: 685-326-7 PubChem CID: 13585947

GRADE & PURITY ≥98%

Synonyms

MFCD00077063 | Fmoc-Ile-OPfp | Fmoc-L-Ile-OPfp | Fmoc-lle-OPfp | Pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucinate | M06248 | (2,3,4,5,6-pentafluorophenyl) (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate | FD21833 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MFCD00077063 | Fmoc-Ile-OPfp | Fmoc-L-Ile-OPfp | Fmoc-lle-OPfp | Pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucinate | M06248 | (2, 3, 4, 5, 6-pentafluorophenyl) (2S, 3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate | FD21833 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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: 488198478
• Sonrisas canónicas: CCC(C)C(C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
• InChIKey: FYZSBHSHLNJGPS-RZFZLAGVSA-N
• INCHI: 1S/C27H22F5NO4/c1-3-13(2)24(26(34)37-25-22(31)20(29)19(28)21(30)23(25)32)33-27(35)36-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18,24H,3,12H2,1-2H3,(H,33,35)/t13-,24-/m0/s1
• Isómeros SMILES: CC[C@H](C)[C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• WGK Alemania: 3
• PubChem CID: 13585947
• Peso molecular: 519.46
• Beilstein: 4221390

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 Isoleucine 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: Isoleucine and derivatives
• Alternative Parents: Fluorenes Alpha amino acid esters Phenol esters Phenoxy compounds Fluorobenzenes Fatty acid esters Aryl fluorides Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Isoleucine or derivatives - Alpha-amino acid ester - Fluorene - Phenol ester - Phenoxy compound - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine 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: 519.500 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 519.147 Da
• Monoisotopic Mass: 519.147 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 767.000
• 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