(2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile
(2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile
Also Known As: Cardiospermin|(2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile|2-(Hexopyranosyloxy)-3-(hydroxymethyl)but-3-enenitrile|(2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile|(2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)but-3-enenitrile|3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-(hydroxymethyl)-, (S)-|(2S)-3-(hydroxymethyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybut-3-enenitrile|(2S)-3-(hydroxymethyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-but-3-enenitrile|(2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-3-enenitrile
| Molecular Formula | C11H17NO7 |
|---|---|
| Molecular Weight | 275.1005 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.1005 |
| Monoisotopic Mass | 275.1005 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 54525-10-9 |
|---|---|
| SMILES | C=C(CO)[C@@H](C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | MQTLCYHUTVTHFO-MPVQUNCYSA-N |
Product Overview
(2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile (CAS 54525-10-9), with molecular formula C11H17NO7 and molecular weight 275.1005 g/mol. IUPAC: (2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile.
(2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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