Sieber Amide Resin - 0.3~0.8mmol/g, 100~200 mesh, 1% DVB , CAS No.915706-90-0

CAS: 915706-90-0 Cat. No.: S118282 Molecular Weight: 539.6 PubChem CID: 118459230

GRADE & PURITY 0.3~0.8mmol/g, 100~200 mesh, 1% DVB

Synonyms

9-Fmoc-amino-xanthen-3-yloxy-Merrifield resin

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

A hyper acid-labile resin for the Fmoc SPPS of protected peptide amides via mild 1% TFA cleavage [1,2]. The resin can be readily reductively alkylated to provide a support suited to the synthesis of secondary carboxamides [3].This resin has also been employed to produce protected peptide fragments in which the C-terminal carboxylic acid group is blocked as a hydroxymethylphenoxy-β-alaninamide ester

Specifications

Synonyms

9-Fmoc-amino-xanthen-3-yloxy-Merrifield resin

Specifications & Purity

0.3~0.8mmol/g, 100~200 mesh, 1% DVB

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)COC2=CC3=C(C=C2)C(C4=CC=CC=C4O3)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[(4-methylphenyl)methoxy]-9H-xanthen-9-yl]carbamate
• InChIKey: RDRBIXSNGAYLPT-UHFFFAOYSA-N
• INCHI: 1S/C36H29NO4/c1-23-14-16-24(17-15-23)21-39-25-18-19-31-34(20-25)41-33-13-7-6-12-30(33)35(31)37-36(38)40-22-32-28-10-4-2-8-26(28)27-9-3-5-11-29(27)32/h2-20,32,35H,21-22H2,1H3,(H,37,38)
• Isomeric SMILES: CC1=CC=C(C=C1)COC2=CC3=C(C=C2)C(C4=CC=CC=C4O3)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
• PubChem CID: 118459230
• Molecular Weight: 539.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Fluorenes Diarylethers Toluenes Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids and derivatives Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Fluorene - Diaryl ether - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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: 539.600 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 539.21 Da
• Monoisotopic Mass: 539.21 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 850.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1