GRADE & PURITY ≥95%

Synonyms

2,5-Dioxo-1-pyrrolidinyl 1-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-prolinate | AS-56432 | 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S)-pyrrolidine-1,2-dicarboxylate | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-proline succinimidyl ester | E7

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 5-Dioxo-1-pyrrolidinyl 1-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-prolinate | AS-56432 | 2-O-(2, 5-dioxopyrrolidin-1-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S)-pyrrolidine-1, 2-dicarboxylate | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-proline succinimidyl ester | E7

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)ON5C(=O)CCC5=O
• IUPAC Name: 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S)-pyrrolidine-1,2-dicarboxylate
• InChIKey: JZBHVBQPWXZALQ-FQEVSTJZSA-N
• INCHI: 1S/C24H22N2O6/c27-21-11-12-22(28)26(21)32-23(29)20-10-5-13-25(20)24(30)31-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19-20H,5,10-14H2/t20-/m0/s1
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)ON5C(=O)CCC5=O
• Molecular Weight: 434.4
• Reaxy-Rn: 15788582
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15788582&ln=

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 Pyrrolidine carboxylic acids Pyrrolidine-2-ones Dicarboximides Carbamate esters Tertiary amines Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Proline or derivatives - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Lactam - Tertiary amine - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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

• Molecular Weight: 434.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 434.148 Da
• Monoisotopic Mass: 434.148 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 746.000
• 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