beta-D-Glucopyranoside, 2-propen-1-yl 2-(acetylamino)-2-deoxy-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-, 3,6-diacetate

Base Information

• Chemical Name: beta-D-Glucopyranoside, 2-propen-1-yl 2-(acetylamino)-2-deoxy-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-, 3,6-diacetate
• CAS No.: 28738-45-6
• Molecular Formula: C₂₉H₄₂N₂O₁₆
• Molecular Weight: 674.656
• DSSTox Substance ID: DTXSID901100989

Synonyms:DTXSID901100989;28738-45-6;beta-D-Glucopyranoside, 2-propen-1-yl 2-(acetylamino)-2-deoxy-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-, 3,6-diacetate

Chemical Property of beta-D-Glucopyranoside, 2-propen-1-yl 2-(acetylamino)-2-deoxy-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-, 3,6-diacetate

Chemical Property:

• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 19
• Exact Mass: 674.25343326
• Heavy Atom Count: 47
• Complexity: 1180

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Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OCC=C)COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C

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