Fmoc-trans-4-OH-Pro-OMe - ≥97.0%(HPLC) , CAS No.122350-59-8

CAS: 122350-59-8 Cat. No.: M725332 Molecular Weight: 367.41 PubChem CID: 10981426

GRADE & PURITY ≥97%(HPLC)

Synonyms

(2S,4R)-1-((9H-Fluoren-9-yl)methyl) 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate | Fmoc-trans-4-OH-Pro-OMe | N-Fmoc-trans-4-hydroxy-L-proline methyl ester

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

(2S,4R)-1-((9H-Fluoren-9-yl)methyl) 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate is a proline derivative

Specifications

Synonyms

(2S, 4R)-1-((9H-Fluoren-9-yl)methyl) 2-methyl 4-hydroxypyrrolidine-1, 2-dicarboxylate | Fmoc-trans-4-OH-Pro-OMe | N-Fmoc-trans-4-hydroxy-L-proline methyl ester

Specifications & Purity

≥97.0%(HPLC)

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

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: COC(=O)C1CC(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
• IUPAC Name: 1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
• InChIKey: AWCMBJJPVSUPSS-YJYMSZOUSA-N
• INCHI: 1S/C21H21NO5/c1-26-20(24)19-10-13(23)11-22(19)21(25)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19,23H,10-12H2,1H3/t13-,19+/m1/s1
• Isomeric SMILES: COC(=O)[C@@H]1C[C@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
• PubChem CID: 10981426
• Molecular Weight: 367.41

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 Pyrrolidine carboxylic acids Methyl esters Carbamate esters Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Fluorene - Proline or derivatives - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Secondary alcohol - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen 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

• Molecular Weight: 367.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 367.142 Da
• Monoisotopic Mass: 367.142 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 545.000
• 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