3-Formyl-25-desacetyl Rifamycin
(7S,11S,12S,13S,14R,15R,16R,17S,18S)-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-26-carbaldehyde
Also Known As: 3-Fdar|3-Formyl-25-desacetylrifamycin|3-Formyl-25-desacetyl Rifamycin|(7S,11S,12S,13S,14R,15R,16R,17S,18S)-2,13,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-26-carbaldehyde
| Molecular Formula | C36H45NO12 |
|---|---|
| Molecular Weight | 683.2942 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 212.31 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 683.2942 |
| Heavy Atoms | 49 |
| Complexity | 1745.7 |
Chemical Identifiers
| CAS Number | 16783-97-4 |
|---|---|
| SMILES | C[C@H]1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C)O)O)C=O)C |
Product Overview
3-Formyl-25-desacetyl Rifamycin (CAS 16783-97-4), with molecular formula C36H45NO12 and molecular weight 683.2942 g/mol. IUPAC: (7S,11S,12S,13S,14R,15R,16R,17S,18S)-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-26-carbaldehyde.
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