Nα-Fmoc-N(im)-trityl-L-histidine pentafluorophenyl ester - ≥75% , CAS No.109434-24-4

CAS: 109434-24-4 Cat. No.: F115940 Molecular Weight: 785.76 Beilstein Registry Number: 8890096 PubChem CID: 13968103

GRADE & PURITY ≥75%

Synonyms

DTXSID00553445 | HY-W142171 | N | Fmoc-His(-Trt)-OPfp | Fmoc-His(Trt)-OPfp | N-FmoC-N'-Trityl-L-histidine pentafluorophenyl ester | J-002282 | A895041 | A-Fmoc-N(im)-trityl-L-histidine pentafluorophenyl ester | FD21723 | MFCD00065653 | Fmoc-L-His(Trt)-OPf

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DTXSID00553445 | HY-W142171 | N | Fmoc-His(-Trt)-OPfp | Fmoc-His(Trt)-OPfp | N-FmoC-N'-Trityl-L-histidine pentafluorophenyl ester | J-002282 | A895041 | A-Fmoc-N(im)-trityl-L-histidine pentafluorophenyl ester | FD21723 | MFCD00065653 | Fmoc-L-His(Trt)-OPf

Specifications & Purity

≥75%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥75%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CC(C(=O)OC5=C(C(=C(C(=C5F)F)F)F)F)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoate
• InChIKey: BEYCFWPYIFVBLO-QNGWXLTQSA-N
• INCHI: 1S/C46H32F5N3O4/c47-38-39(48)41(50)43(42(51)40(38)49)58-44(55)37(53-45(56)57-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-54(27-52-31)46(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,53,56)/t37-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)OC5=C(C(=C(C(=C5F)F)F)F)F)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
• WGK Germany: 3
• PubChem CID: 13968103
• Molecular Weight: 785.76
• Beilstein: 8890096

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Histidine and derivatives Alpha amino acid esters Fluorenes Phenol esters Phenoxy compounds Imidazolyl carboxylic acids and derivatives Fatty acid esters Fluorobenzenes Aryl fluorides N-substituted imidazoles Carbamate esters Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Histidine or derivatives - Alpha-amino acid ester - Fluorene - Alpha-amino acid or derivatives - Phenol ester - Phenoxy compound - Imidazolyl carboxylic acid derivative - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - N-substituted imidazole - Carbamic acid ester - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Chemical and Physical Properties

• Molecular Weight: 785.800 g/mol
• XLogP3: 9.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 785.231 Da
• Monoisotopic Mass: 785.231 Da
• Topological Polar Surface Area: 82.500 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1280.000
• 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