Fmoc-L-proline pentafluorophenyl ester - ≥96% , CAS No.86060-90-4

CAS: 86060-90-4 Cat. No.: F116842 Molecular Weight: 503.42 Beilstein Registry Number: 4731096 EC Number: 685-323-0 PubChem CID: 2733412

GRADE & PURITY ≥96%

Synonyms

Fmoc-Pro-OPfp, >=96.0% | MFCD00065672 | Fmoc-L-Pro-OPfp | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-proline pentafluorphenyl ester | F11064 | Fmoc-Pro-OPfp | 1,2-Pyrrolidinedicarboxylicacid,1-(9H-fluoren-9-ylmethyl)2-(pentafluorophenyl)ester,(2S)- | N-(9-F

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Fmoc-Pro-OPfp, >=96.0% | MFCD00065672 | Fmoc-L-Pro-OPfp | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-proline pentafluorphenyl ester | F11064 | Fmoc-Pro-OPfp | 1, 2-Pyrrolidinedicarboxylicacid, 1-(9H-fluoren-9-ylmethyl)2-(pentafluorophenyl)ester, (2S)- | N-(9-F

Specifications & Purity

≥96%

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

≥96%

Names and Identifiers

• Pubchem Sid: 488192400
• Canonical Smiles: C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OC5=C(C(=C(C(=C5F)F)F)F)F
• IUPAC Name: 1-O-(9H-fluoren-9-ylmethyl) 2-O-(2,3,4,5,6-pentafluorophenyl) (2S)-pyrrolidine-1,2-dicarboxylate
• InChIKey: CQBLOHXKGUNWRV-SFHVURJKSA-N
• INCHI: 1S/C26H18F5NO4/c27-19-20(28)22(30)24(23(31)21(19)29)36-25(33)18-10-5-11-32(18)26(34)35-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2/t18-/m0/s1
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OC5=C(C(=C(C(=C5F)F)F)F)F
• WGK Germany: 3
• PubChem CID: 2733412
• Molecular Weight: 503.42
• Beilstein: 4731096

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: Proline and derivatives Alpha amino acid esters Phenol esters Pyrrolidine carboxylic acids Phenoxy compounds Fluorobenzenes Aryl fluorides Carbamate esters Organic carbonic acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Fluorene - Proline or derivatives - Phenol ester - Alpha-amino acid or derivatives - Phenoxy compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Carbamic acid ester - Pyrrolidine - Carbonic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic 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

• Melt Point(°C): 127 - 129 °C
• Molecular Weight: 503.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 503.116 Da
• Monoisotopic Mass: 503.116 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 781.000
• 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