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· · COA & SDS available for every product · Same-day shipping on in-stock items Home By Target/Pathway/Disease Acetonitrile, ((2S,3R,4S,6R)-6-(beta-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene)-, (2Z)- , CAS No.51771-52-9 Acetonitrile, ((2S,3R,4S,6R)-6-(beta-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene)-, (2Z)- , CAS No.51771-52-9 🧪
Why this grade 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.
Names and Identifiers Canonical Smiles COC1CC(C(=CC#N)C(C1OC)O)OC2C(C(C(C(O2)CO)O)O)O IUPAC Name (2E)-2-[(2S,3R,4S,6R)-2-hydroxy-3,4-dimethoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile InChIKey KURSRHBVYUACKS-LUIBMDKYSA-N INCHI 1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3-/t8-,9+,10-,11+,12-,13+,14-,15+,16-/m1/s1 Isomeric SMILES CO[C@H]1C[C@H](/C(=C/C#N)/[C@@H]([C@H]1OC)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O PubChem CID 6504529 MeSH Entry Terms 2-(cyanomethylene)-3-hydroxy-4,5-dimethoxycyclohexyl-beta-glucoside;simmondsin
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 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 375.370 g/mol XLogP3 -3.300 Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 5 Exact Mass 375.153 Da Monoisotopic Mass 375.153 Da Topological Polar Surface Area 162.000 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 547.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 9 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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