4-Demethoxy-4'-O-methyldoxorubicin
7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-DM-4'-O-methyldx|4-Demethoxy-4'-O-methyldoxorubicin|7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 7-((3-amino-2,3,6-trideoxy-4-O-methyl-alpha-D-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-, (7S-cis)-|3,5,12-Trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-methylhexopyranoside
| 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 | 87471-33-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)OC |
| InChIKey | CQXYIKPCIOTYHD-UHFFFAOYSA-N |
Product Overview
4-Demethoxy-4'-O-methyldoxorubicin (CAS 87471-33-8), with molecular formula C27H29NO10 and molecular weight 527.17914 g/mol. IUPAC: 7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.
4-Demethoxy-4'-O-methyldoxorubicin is a custom synthesis product. We offer services from milligram to kilogram scale.
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