alpha-D-manno-2-Heptulopyranosidonic acid, methyl, tetraacetate

Base Information

• Chemical Name: alpha-D-manno-2-Heptulopyranosidonic acid, methyl, tetraacetate
• CAS No.: 182064-04-6
• Molecular Formula: C₁₆H₂₂O₁₂
• Molecular Weight: 406.343
• DSSTox Substance ID: DTXSID901187533

Synonyms:DTXSID901187533;alpha-D-manno-2-Heptulopyranosidonic acid, methyl, tetraacetate;182064-04-6

Chemical Property of alpha-D-manno-2-Heptulopyranosidonic acid, methyl, tetraacetate

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 406.11112613
• Heavy Atom Count: 28
• Complexity: 644

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Useful:

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

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