beta-D-Glucopyranoside, ethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-thio-, 3,4-diacetate

Base Information

• Chemical Name: beta-D-Glucopyranoside, ethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-thio-, 3,4-diacetate
• CAS No.: 131545-00-1
• Molecular Formula: C₂₀H₂₃NO₈S
• Molecular Weight: 437.471
• DSSTox Substance ID: DTXSID901113708

Synonyms:131545-00-1;DTXSID901113708;beta-D-Glucopyranoside, ethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-thio-, 3,4-diacetate;(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindolin-2-yl)-6-(ethylthio)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diyl diacetate

Chemical Property of beta-D-Glucopyranoside, ethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-thio-, 3,4-diacetate

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 437.11443787
• Heavy Atom Count: 30
• Complexity: 676

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MSDS Files:

Useful:

• Canonical SMILES: CCSC1C(C(C(C(O1)CO)OC(=O)C)OC(=O)C)N2C(=O)C3=CC=CC=C3C2=O
• Isomeric SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)C)OC(=O)C)N2C(=O)C3=CC=CC=C3C2=O

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