beta-D-Glucopyranoside, (2Z)-4-hydroxy-2-buten-1-yl, 2,3,4,6-tetraacetate

Base Information

• Chemical Name: beta-D-Glucopyranoside, (2Z)-4-hydroxy-2-buten-1-yl, 2,3,4,6-tetraacetate
• CAS No.: 130678-92-1
• Molecular Formula: C₁₈H₂₆O₁₁
• Molecular Weight: 418.398
• DSSTox Substance ID: DTXSID201153725

Synonyms:DTXSID201153725;beta-D-Glucopyranoside, (2Z)-4-hydroxy-2-buten-1-yl, 2,3,4,6-tetraacetate;130678-92-1

Chemical Property of beta-D-Glucopyranoside, (2Z)-4-hydroxy-2-buten-1-yl, 2,3,4,6-tetraacetate

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 418.14751164
• Heavy Atom Count: 29
• Complexity: 615

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OCC=CCO)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)OC/C=C\CO)OC(=O)C)OC(=O)C)OC(=O)C

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