beta-d-Glucopyranoside, 3-butyn-1-yl, 2,3,4,6-tetraacetate

Base Information

• Chemical Name: beta-d-Glucopyranoside, 3-butyn-1-yl, 2,3,4,6-tetraacetate
• CAS No.: 35785-29-6
• Molecular Formula: C₁₈H₂₄O₁₀
• Molecular Weight: 400.383
• DSSTox Substance ID: DTXSID201204972

Synonyms:beta-d-glucopyranoside, 3-butyn-1-yl, 2,3,4,6-tetraacetate;35785-29-6;DTXSID201204972

Chemical Property of beta-d-Glucopyranoside, 3-butyn-1-yl, 2,3,4,6-tetraacetate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 400.13694696
• Heavy Atom Count: 28
• Complexity: 634

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OCCC#C)OC(=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCC#C)OC(=O)C)OC(=O)C)OC(=O)C

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