AC1L9MLK
[26-[(dimethylamino)methyl]-2,15,17,27,29-pentahydroxy-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-octaen-13-yl] acetate
Also Known As: 3-Dimethylaminomethyl rifamycin SV|Rifamycin, 3-((dimethylamino)methyl)-
CAS: 4135-85-7
| Molecular Formula | C40H54N2O12 |
|---|---|
| Molecular Weight | 754.3677 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 754.3677 |
| Monoisotopic Mass | 754.3677 |
| Heavy Atoms | 54 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 4135-85-7 |
|---|---|
| SMILES | CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN(C)C)C |
| InChIKey | MLCFJDJPAIZRMR-UHFFFAOYSA-N |
Product Overview
AC1L9MLK (CAS 4135-85-7), with molecular formula C40H54N2O12 and molecular weight 754.3677 g/mol. IUPAC: [26-[(dimethylamino)methyl]-2,15,17,27,29-pentahydroxy-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-octaen-13-yl] acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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