N-(Carbamoylmethyl)daunorubicin
2-[[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]acetamide
Also Known As: N-(Carbamoylmethyl)daunorubicin|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-((2-amino-2-oxoethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-|2-[[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]acetamide|3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2-hydroxy-2-iminoethyl)amino]hexopyranoside
| Molecular Formula | C29H32N2O11 |
|---|---|
| Molecular Weight | 584.2006 g/mol |
| LogP | 0.15 |
| Topological Polar Surface Area | 214.94 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 584.2006 |
| Heavy Atoms | 42 |
| Complexity | 1505.1 |
Chemical Identifiers
| CAS Number | 103620-82-2 |
|---|---|
| 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)NCC(=O)N)O |
Product Overview
N-(Carbamoylmethyl)daunorubicin (CAS 103620-82-2), with molecular formula C29H32N2O11 and molecular weight 584.2006 g/mol. IUPAC: 2-[[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]acetamide.
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