myo-Inositol, 1,3,5-O-methylidyne-, 2,4,6-triacetate

Base Information

• Chemical Name: myo-Inositol, 1,3,5-O-methylidyne-, 2,4,6-triacetate
• CAS No.: 98510-21-5
• Molecular Formula: C₁₃H₁₆O₉
• Molecular Weight: 316.265
• DSSTox Substance ID: DTXSID001218624

Synonyms:98510-21-5;myo-Inositol, 1,3,5-O-methylidyne-, 2,4,6-triacetate;SCHEMBL13580049;SCHEMBL13580683;DTXSID001218624;Myo-Inositol, 1,3,5-O-Methylidyne-, TriacEtate;(8,9-diacetyloxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl) acetate

Chemical Property of myo-Inositol, 1,3,5-O-methylidyne-, 2,4,6-triacetate

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 316.07943208
• Heavy Atom Count: 22
• Complexity: 414

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1C2C(C3C(C1OC(O2)O3)OC(=O)C)OC(=O)C

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