AC1L49X7
(9R)-9-[2-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxyacetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 7-Deoxy-14-O-daunosaminyladriamycinone|(R)-8-(((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|5,12-Naphthacenedione, 8-(((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (R)-|(9R)-9-[2-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxyacetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|(r)-8-(((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)acetyl) -7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|2-Oxo-2-(2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)ethyl 3-amino-2,3,6-trideoxyhexopyranoside|2-oxo-2-[(2R)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
| Molecular Formula | C27H29NO10 |
|---|---|
| Molecular Weight | 527.17914 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.17914 |
| Monoisotopic Mass | 527.17914 |
| Heavy Atoms | 38 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 69804-35-9 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)OCC(=O)[C@]2(CCC3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)O)N)O |
| InChIKey | LAOGNXMJSNEHMI-ZLVPCIDCSA-N |
Product Overview
AC1L49X7 (CAS 69804-35-9), with molecular formula C27H29NO10 and molecular weight 527.17914 g/mol. IUPAC: (9R)-9-[2-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxyacetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.