N-Formyladriamycin
N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]formamide
Also Known As: N-Formyladriamycin|N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]formamide|(1S,3S)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-formamidohexopyranoside|5, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(formylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, (8S-cis)-|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(formylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, (8S-cis)-|N-(3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy)oxan-4-yl)formamide
| Molecular Formula | C28H29NO12 |
|---|---|
| Molecular Weight | 571.16895 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 571.16895 |
| Monoisotopic Mass | 571.16895 |
| Heavy Atoms | 41 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 76573-10-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC=O)O |
| InChIKey | HDZSJJZLQYFKQG-PHKCKUDBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Formyladriamycin (CAS 76573-10-9), with molecular formula C28H29NO12 and molecular weight 571.16895 g/mol. IUPAC: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]formamide.
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