Fmoc-Val-OPfp - ≥98% , CAS No.86060-87-9

CAS: 86060-87-9 Cat. No.: F116855 Molecular Weight: 505.43 Beilstein Registry Number: 3640481 EC Number: 685-324-6 PubChem CID: 2733281

GRADE & PURITY ≥98%

Synonyms

(S)-perfluorophenyl 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanoate | HY-W013106 | Fmoc-L-Val-OPfp | AS-56472 | N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-Valine Pentafluorphenyl Ester | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-valine pentaflu

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Fmoc-Val-OPfp is an Fmoc-protected valine derivative.
A Fmoc-protected valine derivative.

Specifications

Synonyms

(S)-perfluorophenyl 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanoate | HY-W013106 | Fmoc-L-Val-OPfp | AS-56472 | N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-Valine Pentafluorphenyl Ester | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-valine pentaflu

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 488192376
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192376
• Canonical Smiles: CC(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)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
• InChIKey: TZEGAVSWQUEHAQ-QHCPKHFHSA-N
• INCHI: 1S/C26H20F5NO4/c1-12(2)23(25(33)36-24-21(30)19(28)18(27)20(29)22(24)31)32-26(34)35-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17,23H,11H2,1-2H3,(H,32,34)/t23-/m0/s1
• Isomeric SMILES: CC(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 Germany: 3
• PubChem CID: 2733281
• Molecular Weight: 505.43
• Beilstein: 3640481

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Valine and derivatives Alpha amino acid esters Phenol esters Phenoxy compounds Fatty acid esters Fluorobenzenes Aryl fluorides Carbamate esters Carboxylic acid esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-amino acid ester - Valine or derivatives - Fluorene - Alpha-amino acid or derivatives - Phenol ester - Phenoxy compound - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 505.400 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 505.131 Da
• Monoisotopic Mass: 505.131 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 749.000
• 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