Daunomycin
CAS: 20830-81-3
| 1 | daunorubicin |
| 2 | Daunomycin |
| 3 | Acetyladriamycin |
| 4 | Leukaemomycin C |
| 5 | Rubidomycin |
Daunomycin can cause cancer according to an independent committee of scientific and health experts.
| Molecular Formula | C27H29NO10 |
|---|---|
| Canonical SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O |
| Isomeric SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O |
| Molecular Weight | 527.5000 |
| InChIKey | STQGQHZAVUOBTE-VGBVRHCVSA-N |
| InChI | InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 |
| XLogP | 1.8000 |
| ExactMass | 527.1791 |
| MonoisotopicMass | 527.1791 |
| TPSA | 186.0000 |
| Complexity | 960.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 5 |
| HBondAcceptorCount | 11 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 38 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 6 |
| DefinedAtomStereoCount | 6 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 153251 |
| PatentFamilyCount | 40976 |
| LiteratureCount | 19434 |