AC1O5YZX
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)-2-methylprop-2-enoxy]oxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 3-(3-(methoxycarbonyl)-2,2-dimethylcyclopropyl)-2-methyl-2-propenyl, (1S-(1alpha(E),3beta))-|(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)-2-methylprop-2-enoxy]oxane-2-carboxylic acid
| Molecular Formula | C17H26O9 |
|---|---|
| Molecular Weight | 374.15768 g/mol |
| LogP | -0.7133 |
| Topological Polar Surface Area | 142.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.15768 |
| Monoisotopic Mass | 374.15768 |
| Heavy Atoms | 26 |
| Complexity | 584.78265 |
Chemical Identifiers
| CAS Number | 93040-26-7 |
|---|---|
| SMILES | C/C(=C\C1C(C1(C)C)C(=O)OC)/CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
AC1O5YZX (CAS 93040-26-7), with molecular formula C17H26O9 and molecular weight 374.15768 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)-2-methylprop-2-enoxy]oxane-2-carboxylic acid.
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