Isomaltobionic acid
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
Also Known As: Isomaltonic acid|Isomaltobionic acid|Isomaltohexaonic acid|Isomaltohexonic acid|6-O-alpha-D-Glucopyranosyl-D-gluconic acid|D-Gluconic acid, 4-O-beta-D-glucopyranosyl-|D-Gluconic acid, 6-O-a-D-glucopyranosyl-|Gluconic acid, 6-O-alpha-D-glucopyranosyl-, D-|(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid|(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanoic acid
| Molecular Formula | C12H22O12 |
|---|---|
| Molecular Weight | 358.1111 g/mol |
| LogP | -5.6689 |
| Topological Polar Surface Area | 217.6 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.1111 |
| Monoisotopic Mass | 358.1111 |
| Heavy Atoms | 24 |
| Complexity | 403.49954 |
Chemical Identifiers
| CAS Number | 534-74-7 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O)O)O)O |
Product Overview
Isomaltobionic acid (CAS 534-74-7), with molecular formula C12H22O12 and molecular weight 358.1111 g/mol. IUPAC: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid.
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