doxorubicin – Doxorubicin
| Name | ||
|---|---|---|
| WID | doxorubicin |
|
| Name | Doxorubicin |
|
| Traditional name | adriamycin | |
| IUPAC name | 10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione | |
| Cross references | PubChem: 11533222, ChEBI: 28748, KEGG: C01661 | |
| Structure | ||
| Empirical formula (pH 7.5) | H29C27N1O11 | |
| SMILES (pH 7.5) | CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O | |
| Charge (pH 7.5) | 1 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 543.52 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
463.53 | |
| ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | 515.00 | |
| pI | 9.06 | |
| logP | 0.860 | |
| logD (pH 7.5) | -0.510 | |
| Function | ||
| Reaction participant |
|
|
| Metadata | ||
| Created | 2012-10-01 15:06:54 | |
| Last updated | 2012-10-01 15:12:03 | |
