Mycalolide A
Grundinformationen
- CAS
121038-36-6- Standard-SMILES
CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)[C@@H]1C- InChIKey
SZQYPBVSIIOBCT-BGPSBVJGSA-N- Summenformel
- C47H64N4O14
- Durchschnittliche Molmasse
- 909 g/mol
Überblick
Mycalolide A has been reported in Mycale with data available.
Namen und Bezeichner
- Bevorzugter Name
- Mycalolide A
- IUPAC
- [(E,3R,4R,5R,9S,10S)-1-[formyl(methyl)amino]-11-[(10S,11R,13E,16S,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethyl-6-oxoundec-1-en-4-yl] acetate
- Englischer Name
- (-)-Mycalolide A
- Summenformel
- C47H64N4O14
- Molmasse
- 909.02946
Namen und Synonyme
Mycalolide ARefChem:160248121038-36-6((E)-1-(formyl(methyl)amino)-11-((13E,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo(24.2.1.12,5.16,9)hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-10-methoxy-3,5,9-trimethyl-6-oxoundec-1-en-4-yl) acetate((E,3R,4R,5R,9S,10S)-1-(formyl(methyl)amino)-11-((10S,11R,13E,16S,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo(24.2.1.12,5.16,9)hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-10-methoxy-3,5,9-trimethyl-6-oxoundec-1-en-4-yl) acetateSCHEMBL29441307(-)-Mycalolide A(1E,3R,4R,5R,9S,10S,12S,13R,14S,16E,21S,23E,26R,27S)-4-O-Acetyl-21-O-de(aminocarbonyl)-23,24-didehydro-39,46-dinor-25-deoxy-25-oxokabiramide CFormamide, N-[(1E,3R,4R,5R,9S,10S)-4-(acetyloxy)-11-[(10S,11R,16S,20S,21R,22S)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-2(31),4,6(30),8,13,24,26(29),28-octaen-20-yl]-10-methoxy-3,5,9-trimethyl-6-oxo-1-undecen-1-y...
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 233 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 65
- Formalladung
- 0
- Komplexität
- 1.630
Physikochemische Eigenschaften
- Siedepunkt
- 1013.5 · 1013.5±75.0 °C(Predicted)
- Dichte
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 13.71 · 13.71±0.70(Predicted)
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