Epipassibiflorin
4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
Also Known As: Epipassibiflorin|1-{[6-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-4-hydroxycyclopent-2-ene-1-carbonitrile|1-{[6-O-(6-Deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-4-hydroxycyclopent-2-ene-1-carbonitrile|2-Cyclopentene-1-carbonitrile, 1-((6-O-(6-deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-4-hydroxy-|4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
| Molecular Formula | C18H27NO11 |
|---|---|
| Molecular Weight | 433.15842 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.15842 |
| Monoisotopic Mass | 433.15842 |
| Heavy Atoms | 30 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 97564-59-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3(CC(C=C3)O)C#N)O)O)O)O)O)O |
| InChIKey | VKYWQQIUMKKPIN-GGJZXZOSSA-N |
Product Overview
Epipassibiflorin (CAS 97564-59-5), with molecular formula C18H27NO11 and molecular weight 433.15842 g/mol. IUPAC: 4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile.
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