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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Cyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside - ≥98% , CAS No.61145-39-9
Synonyms
[3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate|[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl acetate|Cyanomethyl-2,3,4,6-tetra-O-acetyl-a-D-thiomannopyranoside|61145-39-9|AC1MPLI3|Oprea1_562394|SCHEMBL14
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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 Sinónimos
[3, 4, 5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate | [(2R, 3S, 4S, 5R, 6S)-3, 4, 5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl acetate | Cyanomethyl-2, 3, 4, 6-tetra-O-acetyl-a-D-thiomannopyranoside | 61145-39-9 | AC1MPLI3 | Oprea1_562394 | SCHEMBL14
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Nombres e identificadores Pubchem Sid 504762550 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504762550 Sonrisas canónicas CC(=O)OCC1C(C(C(C(O1)SCC#N)OC(=O)C)OC(=O)C)OC(=O)C IUPAC Name [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl acetate InChIKey ZNQCXCWNORCJGV-UHFFFAOYSA-N INCHI 1S/C16H21NO9S/c1-8(18)22-7-12-13(23-9(2)19)14(24-10(3)20)15(25-11(4)21)16(26-12)27-6-5-17/h12-16H,6-7H2,1-4H3 Isómeros SMILES CC(=O)OCC1C(C(C(C(O1)SCC#N)OC(=O)C)OC(=O)C)OC(=O)C Peso molecular 403.40 Reaxy-Rn 48585586 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48585586&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 oxygen compounds Clase Organooxygen compounds Subclass Carbohydrates and carbohydrate conjugates Intermediate Tree Nodes Glycosyl compounds Direct Parent Cyanogenic glycosides Alternative Parents Tetracarboxylic acids and derivatives Thioglycosides Oxanes Monosaccharides Monothioacetals Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteromonocyclic compounds Substituents Cyanogenic glycoside - Tetracarboxylic acid or derivatives - S-glycosyl compound - Monosaccharide - Oxane - Monothioacetal - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aliphatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Moisture sensitive. Punto de fusión (°C) 129-131 ºC Peso molecular 403.400 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 11 Exact Mass 403.094 Da Monoisotopic Mass 403.094 Da Topological Polar Surface Area 164.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 629.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 5 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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