Kingiside

Base Information

• Chemical Name: Kingiside
• CAS No.: 25406-67-1
• Molecular Formula: C₁₇H₂₄O₁₁
• Molecular Weight: 404.371
• DSSTox Substance ID: DTXSID701104147
• Nikkaji Number: J870.465A
• Wikidata: Q104394378

Synonyms:Kingiside;25406-67-1;methyl (1S,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate;1H,3H-Pyrano(3,4-c)pyran-5-carboxylic acid, 8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-6-oxo-, methyl ester, (1S-(1alpha,4abeta,8beta,8abeta))-;1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-3-oxo-, methyl ester, (1S,4aS,8S,8aS)-;DTXSID701104147;HY-N11795;AKOS040735201;CS-0851568;Methyl (1S,4aS,8S,8aS)-8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylate

Chemical Property of Kingiside

Chemical Property:

• Boiling Point: 660.1±55.0 °C(Predicted)
• PSA: 161.21000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: -2.21610
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 404.13186158
• Heavy Atom Count: 28
• Complexity: 635

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(CC(=O)O1)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC
• Isomeric SMILES: C[C@H]1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC

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