HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
AR-5-1 · A-11725I · Mycinamicin · Mycinamicin Ⅰ · Mycinomycin I · Mycinamicin I · Antibiotic AR-5-1 · Antibiotic A 11725 I
![(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione molecular structure](/img/chemical/90657384.png)
Identifiers & Physical Properties
| CAS No. | 73665-15-3 |
|---|---|
| Molecular formula | C37H61NO12 |
| Average molar mass | 711.9 g/mol |
| Monoisotopic mass | 711.41937638 g/mol |
| SMILES | CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@@H]2O[C@H]2[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |
| InChIKey | QABCJBNUVVMWAL-XNABIBRNSA-N |
| PubChem CID | 90657384 |
| DTXSID | DTXSID701101331 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 155 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 13 |
| Rotatable bonds | 9 |
| Heavy atoms | 50 |
| Formal charge | 0 |
| Complexity | 1,170 |
| Melting point | 105°C |
| Boiling point | 702.95°C (rough estimate) |
| Density | 1.1571 (rough estimate) |
| Refractive index | 1.6630 (estimate) |
| EWG's Food Scores | 1 |
Applications & Uses
Uses
Mycinamicin I is classified as a macrolide antibiotic.