D-glycero-D-gulo-Heptonamide, 2,6-anhydro-, 3,4,5,7-tetraacetate

Base Information

• Chemical Name: D-glycero-D-gulo-Heptonamide, 2,6-anhydro-, 3,4,5,7-tetraacetate
• CAS No.: 108739-89-5
• Molecular Formula: C₁₅H₂₁NO₁₀
• Molecular Weight: 375.332
• DSSTox Substance ID: DTXSID201170361

Synonyms:DTXSID201170361;D-glycero-D-gulo-Heptonamide, 2,6-anhydro-, 3,4,5,7-tetraacetate;108739-89-5

Chemical Property of D-glycero-D-gulo-Heptonamide, 2,6-anhydro-, 3,4,5,7-tetraacetate

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 375.11654587
• Heavy Atom Count: 26
• Complexity: 589

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)C(=O)N)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)C(=O)N)OC(=O)C)OC(=O)C)OC(=O)C

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