Acmimycin
(1R,3S,5R,8S,10R,11S,12S,13R,14S)-7-methoxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradec-6-ene-8,12,14-triol
Also Known As: Spenolimycin|Acmimycin|(1R,3S,5R,8S,10R,11S,12S,13R,14S)-7-methoxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradec-6-ene-8,12,14-triol|(1R,3S,5R,8S,10R,11S,12S,13R,14S)-7-methoxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo(8.4.0.03,8)tetradec-6-ene-8,12,14-triol|(2R)-5abeta,6,7,8,9,9aalpha-Hexahydro-4-methoxy-2alpha-methyl-6beta,8beta-bis(methylamino)-2H-pyrano[2,3-b][1,4]benzodioxin-4abeta,7beta,9alpha(10abetaH)-triol|(2R,10abeta)-5abeta,6,7,8,9,9aalpha-Hexahydro-4-methoxy-2-methyl-6beta,8beta-bis(methylamino)-2H-pyrano[2,3-b][1,4]benzodioxin-4abeta,7beta,9alpha(10aH)-triol|(2R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-4-methoxy-2-methyl-6,8-bis(methylamino)-5a,6,7,8,9,9a-hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4a,7,9(10aH)-triol|2H-Pyrano(2,3-b)(1,4)benzodioxin-4a,7,9(10aH)-triol, 5a,6,7,8,9,9a-hexahydro-4-methoxy-2-methyl-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10beta))-
| Molecular Formula | C15H26N2O7 |
|---|---|
| Molecular Weight | 346.174 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.174 |
| Monoisotopic Mass | 346.174 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 95041-97-7 |
|---|---|
| SMILES | C[C@@H]1C=C([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)OC |
| InChIKey | JXUOVTMVWNHOAJ-XLBYJKOOSA-N |
Product Overview
Acmimycin (CAS 95041-97-7), with molecular formula C15H26N2O7 and molecular weight 346.174 g/mol. IUPAC: (1R,3S,5R,8S,10R,11S,12S,13R,14S)-7-methoxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradec-6-ene-8,12,14-triol.