3-Hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl beta-D-glucopyranoside

Base Information

• Chemical Name: 3-Hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl beta-D-glucopyranoside
• CAS No.: 68340-35-2
• Molecular Formula: C₁₉H₃₀O₁₀
• Molecular Weight: 418.441
• DSSTox Substance ID: DTXSID801141776
• Nikkaji Number: J510.979E

Synonyms:Compound NP-015754;DTXSID801141776;AKOS040738723;68340-35-2

Chemical Property of 3-Hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl beta-D-glucopyranoside

Chemical Property:

• XLogP3: -1.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 418.18389715
• Heavy Atom Count: 29
• Complexity: 453

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CCCO)OC(CO)COC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)CCCO)OC(CO)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

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