HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Dimethylamino)-3,5,12,15-tetrahydroxy-13-methoxy-6,12-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2h-2,6-epoxytetraceno[1,2-b]oxocin-14-yl 6-deoxy-3-c-methyl-2-o-methylhexopyranoside
respinomycin C · 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 14-[(6-deoxy-3-C-methyl-2-O-methyl-α-D-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,12,15-tetrahydroxy-13-methoxy-6,12-dimethyl-, (2S,3R,4R,5R,6S,12S,13S,14S)-rel-(+)- (9CI)
![4-(Dimethylamino)-3,5,12,15-tetrahydroxy-13-methoxy-6,12-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2h-2,6-epoxytetraceno[1,2-b]oxocin-14-yl 6-deoxy-3-c-methyl-2-o-methylhexopyranoside molecular structure](/img/chemical/192525.png)
Identifiers & Physical Properties
| CAS No. | 151233-06-6 |
|---|---|
| Molecular formula | C36H45NO14 |
| Average molar mass | 715.7 g/mol |
| Monoisotopic mass | 715.28400511 g/mol |
| SMILES | COC1C(OC2OC(C)C(O)C(C)(O)C2OC)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(O)C(N(C)C)C2O)C3=O)CC1(C)O |
| InChIKey | BZFHXAJTVQBODO-UHFFFAOYSA-N |
| PubChem CID | 192525 |
| DTXSID | DTXSID90934209 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 214 |
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 15 |
| Rotatable bonds | 5 |
| Heavy atoms | 51 |
| Formal charge | 0 |
| Complexity | 1,370 |
| Boiling point | 901.8±65.0 °C(Predicted) |
| Density | 1.52±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 6.44±0.70(Predicted) |