Epilotaustralin
(2S)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Also Known As: Epilotaustralin|Sinigrin|(S)-Lotaustralin|KST-1A6920|2-(Hexopyranosyloxy)-2-methylbutanenitrile|(2s)-2-(|A-d-glucopyranosyloxy)-2-methylbutanenitrile|(2S)-2-(beta-D-Glucopyranosyloxy)-2-methylbutanenitrile|(2S)-2-(beta-D-Glucopyranosyloxy)-2-methylbutyronitrile|Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-, (S)-|(2S)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile|(2S)-2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
| Molecular Formula | C11H19NO6 |
|---|---|
| Molecular Weight | 261.12125 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.12125 |
| Monoisotopic Mass | 261.12125 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 6341-40-8 |
|---|---|
| SMILES | CC[C@@](C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | WEWBWVMTOYUPHH-UUFBCVLASA-N |
Product Overview
Epilotaustralin (CAS 6341-40-8), with molecular formula C11H19NO6 and molecular weight 261.12125 g/mol. IUPAC: (2S)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile.
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