32074-65-0
(2S)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
CAS: 32074-65-0
| Molecular Formula | C34H35N2O16+ |
|---|---|
| Molecular Weight | 727.19867 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 727.19867 |
| Monoisotopic Mass | 727.19867 |
| Heavy Atoms | 52 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 32074-65-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C4C(=C3)C[C@H]([N+]4=CC=C5C[C@H](NC(=C5)C(=O)O)C(=O)O)C(=O)O)O)O)O)O)O |
| InChIKey | BRMDRKOAVZEJCS-WPUGSIMNSA-O |
Product Overview
32074-65-0 (CAS 32074-65-0), with molecular formula C34H35N2O16+ and molecular weight 727.19867 g/mol. IUPAC: (2S)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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