AC1L4KZ8
(2S,3S,4S,5R,6S)-6-[3-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 1,4-dihydroxy-9,10-anthrachinon|(2S,3S,4S,5R,6S)-6-[3-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3S,4S,5R,6S)-6-(3-((carboxymethyl)carbamoyl) phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid|(2S,3S,4S,5R,6S)-6-[3-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic Acid
| Molecular Formula | C15H17NO10 |
|---|---|
| Molecular Weight | 371.08524 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.08524 |
| Monoisotopic Mass | 371.08524 |
| Heavy Atoms | 26 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 86321-26-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)NCC(=O)O |
| InChIKey | ZUDMDITVRYGREL-QKZHPOIUSA-N |
Product Overview
AC1L4KZ8 (CAS 86321-26-8), with molecular formula C15H17NO10 and molecular weight 371.08524 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[3-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
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