beta-D-Glucopyranosyl isocyanate, 2,3,4,6-tetraacetate

Base Information

• Chemical Name: beta-D-Glucopyranosyl isocyanate, 2,3,4,6-tetraacetate
• CAS No.: 104974-80-3
• Molecular Formula: C₁₅H₁₉NO₁₀
• Molecular Weight: 373.317
• DSSTox Substance ID: DTXSID301223024
• Nikkaji Number: J1.477.637K

Synonyms:104974-80-3;SCHEMBL8908686;beta-D-Glucopyranosyl isocyanate, 2,3,4,6-tetraacetate;DTXSID301223024;2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl isocyanate;2,3,4,6-tetra-O-acteyl-beta-D-glucopyranosyl isocyanate;2,3,4,6-tetra-O-acteyl-beta-D-glucopyranosyl_isocyanate;(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-isocyanatotetrahydro-2H-pyran-3,4,5-triyl triacetate

Chemical Property of beta-D-Glucopyranosyl isocyanate, 2,3,4,6-tetraacetate

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 373.10089580
• Heavy Atom Count: 26
• Complexity: 612

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

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

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