N-Maleyldaunomycin
(E)-4-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-4-oxobut-2-enoic acid
Also Known As: N-Maleyldaunomycin|N-MDM|(E)-4-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-4-oxobut-2-enoic acid|5,12-Naphthacenedione, 8-acetyl-10-((3-((3-carboxy-1-oxo-2-propenyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-(8alpha,10alpha(Z)))-
| Molecular Formula | C31H31NO13 |
|---|---|
| Molecular Weight | 625.17957 g/mol |
| LogP | 0.8272 |
| Topological Polar Surface Area | 226.22 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 625.17957 |
| Monoisotopic Mass | 625.17957 |
| Heavy Atoms | 45 |
| Complexity | 1663.1627 |
Chemical Identifiers
| CAS Number | 80445-76-7 |
|---|---|
| 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)NC(=O)/C=C/C(=O)O)O |
Product Overview
N-Maleyldaunomycin (CAS 80445-76-7), with molecular formula C31H31NO13 and molecular weight 625.17957 g/mol. IUPAC: (E)-4-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-4-oxobut-2-enoic acid.
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