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· · COA & SDS available for every product · Same-day shipping on in-stock items OP-0595 - Moligand™, ≥97% , CAS No.1452458-86-4
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97% Synonyms
(1R,2S,5R)-2-((2-Aminoethoxy)carbamoyl)-7-oxo- 1,6-diazabicyclo(3.2.1)octan-6-yl hydrogen sulfate | RSBPYSTVZQAADE-RQJHMYQMSA-N | Sulfuric acid, mono((1R,2S,5R)-2-(((2-aminoethoxy)amino)carbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) ester | Sulfuric aci
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Why this grade Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
(1R,2S,5R)-2-((2-Aminoethoxy)carbamoyl)-7-oxo- 1,6-diazabicyclo(3.2.1)octan-6-yl hydrogen sulfate | RSBPYSTVZQAADE-RQJHMYQMSA-N | Sulfuric acid, mono((1R,2S,5R)-2-(((2-aminoethoxy)amino)carbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) ester | Sulfuric aci
Specifications & Purity
Moligand™, ≥97%
Names and Identifiers Canonical Smiles
C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NOCCN
IUPAC Name
[(2S,5R)-2-(2-aminoethoxycarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
InChIKey
RSBPYSTVZQAADE-RQJHMYQMSA-N
INCHI
1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1
Isomeric SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NOCCN
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31789534&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Alpha amino acid amides Alternative Parents Piperidinecarboxamides 1,3-diazepanes Imidazolidinones Organic sulfuric acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Alpha-amino acid amide - 2-piperidinecarboxamide - Piperidinecarboxamide - 1,3-diazepane - Diazepane - Imidazolidinone - Piperidine - Imidazolidine - Organic sulfuric acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organooxygen compound - Primary amine - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. 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.
3D Structure Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 324.310 g/mol XLogP3 -4.600 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 6 Exact Mass 324.074 Da Monoisotopic Mass 324.074 Da Topological Polar Surface Area 160.000 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 519.000 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
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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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