HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,5,12,15-Tetrahydroxy-13-methoxy-6,12-dimethyl-4-(methylamino)-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2h-2,6-epoxytetraceno[1,2-b]oxocin-14-yl 6-deoxy-3-c-methyl-2-o-methylhexopyranoside
respinomycin B · 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 14-[(6-deoxy-3-C-methyl-2-O-methyl-α-D-mannopyranosyl)oxy]-3,4,5,6,11,12,13,14-octahydro-3,5,12,15-tetrahydroxy-13-methoxy-6,12-dimethyl-4-(methylamino)-, (2S,3R,4R,5R,6S,12S,13S,14S)-rel-(+)- (9CI)
![Molekülstruktur von 3,5,12,15-Tetrahydroxy-13-methoxy-6,12-dimethyl-4-(methylamino)-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2h-2,6-epoxytetraceno[1,2-b]oxocin-14-yl 6-deoxy-3-c-methyl-2-o-methylhexopyranoside](/img/chemical/192524.png)
Identifikatoren & physikalische Daten
| CAS No. | 151233-05-5 |
|---|---|
| Summenformel | C35H43NO14 |
| Durchschnittliche Molmasse | 701,7 g/mol |
| Monoisotopische Masse | 701,26835505 g/mol |
| SMILES | CNC1C(O)C2Oc3c(ccc4c3C(=O)c3c(cc5c(c3O)C(OC3OC(C)C(O)C(C)(O)C3OC)C(OC)C(C)(O)C5)C4=O)C(C)(O2)C1O |
| InChIKey | HXEWDKDWENRZME-UHFFFAOYSA-N |
| PubChem CID | 192524 |
| DTXSID | DTXSID30934208 |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 223 |
| H-Brücken-Donoren | 7 |
| H-Brücken-Akzeptoren | 15 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 50 |
| Formalladung | 0 |
| Komplexität | 1.340 |
| Siedepunkt | 907.061±65.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.548±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (Säurekonstante) | 6.462±0.70(predicted) |