AC1O5Z00
(2S,3S,4S,5R,6R)-6-[(1R,3R)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 1-(2,2-dimethyl-3-(2-methyl-3-oxo-1-propenyl)cyclopropanecarboxylate), (1R-trans)-|(2S,3S,4S,5R,6R)-6-[(1R,3R)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C16H22O9 |
|---|---|
| Molecular Weight | 358.12637 g/mol |
| LogP | -1.1608 |
| Topological Polar Surface Area | 150.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.12637 |
| Monoisotopic Mass | 358.12637 |
| Heavy Atoms | 25 |
| Complexity | 596.4128 |
Chemical Identifiers
| CAS Number | 93040-27-8 |
|---|---|
| SMILES | C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=O |
Product Overview
AC1O5Z00 (CAS 93040-27-8), with molecular formula C16H22O9 and molecular weight 358.12637 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(1R,3R)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
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