[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-bromooxan-2-yl]methyl acetate

Base Information

• Chemical Name: [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-bromooxan-2-yl]methyl acetate
• CAS No.: 39541-21-4
• Molecular Formula: C₁₄H₂₀BrNO₈
• Molecular Weight: 410.219
• DSSTox Substance ID: DTXSID301148715

Synonyms:39541-21-4;DTXSID301148715;alpha-D-Galactopyranosyl bromide, 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate;(2R,3R,4R,5R,6R)-5-Acetamido-2-(acetoxymethyl)-6-bromotetrahydro-2H-pyran-3,4-diyl diacetate

Chemical Property of [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-bromooxan-2-yl]methyl acetate

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 409.03723
• Heavy Atom Count: 24
• Complexity: 511

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Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1Br)COC(=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Br)COC(=O)C)OC(=O)C)OC(=O)C

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