Carmine
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
| Molecular Formula | C22H20O13 |
|---|---|
| Molecular Weight | 492.4 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 243.0 A2 |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.0904 |
| Heavy Atoms | 35 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 1390-65-4 |
|---|---|
| SMILES | CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O |
| InChIKey | DGQLVPJVXFOQEV-NGOCYOHBSA-N |
📖 Product Overview
Carmine (CAS: 1390-65-4) is a chemical compound with molecular formula C22H20O13 and molecular weight 492.4 g/mol. Its IUPAC systematic name is 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid.
DGQLVPJVXFOQEV-NGOCYOHBSA-N.
SMILES: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O.
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