Rink Amide MBHA resin - 100-200 mesh,1% DVB,0.3-0.8mmol/g , CAS No.431041-83-7

CAS: 431041-83-7 Cat. No.: R589109 PubChem CID: 2734066

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

Synonyms

SCHEMBL14007040 | Rink Amide MBHA resin | MFCD00165781 | Rink Amide MBHA resin 100-200 mesh, 1% DVB | F86554 | AKOS030212309 | 9H-fluoren-9-ylmethyl N-[[4-[2-[bis(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate | Carb

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

A special version of Rink Amide MBHA resin with low substitution. Ideal for use in the synthesis of long and difficult peptides amides by Fmoc SPPS.

Specifications

Synonyms

SCHEMBL14007040 | Rink Amide MBHA resin | MFCD00165781 | Rink Amide MBHA resin 100-200 mesh, 1% DVB | F86554 | AKOS030212309 | 9H-fluoren-9-ylmethyl N-[[4-[2-[bis(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]-(2, 4-dimethoxyphenyl)methyl]carbamate | Carb

Specifications & Purity

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

Storage

Store at 2-8°C, Protected from light, Desiccated

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)C(C2=CC=C(C=C2)C)NC(=O)COC3=CC=C(C=C3)C(C4=C(C=C(C=C4)OC)OC)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[[4-[2-[bis(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate
• InChIKey: JDDWRLPTKIOUOF-UHFFFAOYSA-N
• INCHI: 1S/C47H44N2O6/c1-30-13-17-32(18-14-30)45(33-19-15-31(2)16-20-33)48-44(50)29-54-35-23-21-34(22-24-35)46(41-26-25-36(52-3)27-43(41)53-4)49-47(51)55-28-42-39-11-7-5-9-37(39)38-10-6-8-12-40(38)42/h5-27,42,45-46H,28-29H2,1-4H3,(H,48,50)(H,49,51)
• Isomeric SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)NC(=O)COC3=CC=C(C=C3)C(C4=C(C=C(C=C4)OC)OC)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
• PubChem CID: 2734066

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: Diphenylmethanes Dimethoxybenzenes Phenoxy compounds Anisoles Toluenes Alkyl aryl ethers Carbamate esters Secondary carboxylic acid amides Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Diphenylmethane - Fluorene - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Carboxylic acid derivative - Ether - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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: 732.900 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 732.32 Da
• Monoisotopic Mass: 732.32 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1150.000
• 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