Dodecahydroamphotericin A
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33S,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriacontane-36-carboxylic acid
Also Known As: Dodecahydroamphotericin A|Amphotericin B, tetradecahydro-|(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33S,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriacontane-36-carboxylic acid|(1S,3S,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriacontane-38-carboxylic acid
| Molecular Formula | C47H87NO17 |
|---|---|
| Molecular Weight | 937.5974 g/mol |
| LogP | 2.2797 |
| Topological Polar Surface Area | 319.61 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 3 |
| Exact Mass | 937.5974 |
| Monoisotopic Mass | 937.5974 |
| Heavy Atoms | 65 |
| Complexity | 1349.3845 |
Chemical Identifiers
| CAS Number | 40904-73-2 |
|---|---|
| SMILES | C[C@H]1CCCCCCCCCCCCCC[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O |
Product Overview
Dodecahydroamphotericin A (CAS 40904-73-2), with molecular formula C47H87NO17 and molecular weight 937.5974 g/mol. IUPAC: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33S,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriacontane-36-carboxylic acid.