14-Phenyl-14-thiaadriamycin
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-phenylsulfanylacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 14-Phenyl-14-thiaadriamycin|3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-[(phenylsulfanyl)acetyl]-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside|5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-, (8S-cis)-|7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-phenylsulfanylacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C33H33NO10S |
|---|---|
| Molecular Weight | 635.1825 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 635.1825 |
| Monoisotopic Mass | 635.1825 |
| Heavy Atoms | 45 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 83291-67-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CSC6=CC=CC=C6)O)N)O |
| InChIKey | WXRBTXBZCINPCH-UHFFFAOYSA-N |
Product Overview
14-Phenyl-14-thiaadriamycin (CAS 83291-67-2), with molecular formula C33H33NO10S and molecular weight 635.1825 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-phenylsulfanylacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.