Showing Metabocard for (3S)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H,3H,4H-naphtho[2,3-c]pyran-1-one (BASm0010750)
| Common Name | (3s)-9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1h,3h,4h-naphtho[2,3-c]pyran-1-one |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C17H16O6 |
| Average Mass | 316.30900 |
| Monoisotopic Mass | 316.09469 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1cc(O)c2c(O)c3c(cc2c1)C[C@@H](CC(C)=O)OC3=O |
| InChI Identifier | InChI=1S/C17H16O6/c1-8(18)3-12-6-10-4-9-5-11(22-2)7-13(19)14(9)16(20)15(10)17(21)23-12/h4-5,7,12,19-20H,3,6H2,1-2H3/t12-/m1/s1 |
| InChI Key | IAKUBBVEJZWVIH-GFCCVEGCSA-N |
| CHEBI ID | CHEBI:146011 |
| MiMeDB ID | MMDBc0054933 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |