Leurubicin
(2S)-2-amino-N-[(2S,3S,4S,6R)-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]-4-methylpentanamide
| Molecular Formula | C33H40N2O12 |
|---|---|
| Molecular Weight | 656.7 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 235.0 A2 |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 656.2581 |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 70774-25-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(CC(C)C)N)O |
| InChIKey | HROXIDVVXKDCBD-ZUWKMVCBSA-N |
📖 Product Overview
Leurubicin (CAS: 70774-25-3) is a chemical compound with molecular formula C33H40N2O12 and molecular weight 656.7 g/mol. Its IUPAC systematic name is (2S)-2-amino-N-[(2S,3S,4S,6R)-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]-4-methylpentanamide.
HROXIDVVXKDCBD-ZUWKMVCBSA-N.
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(CC(C)C)N)O.
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