Tylosin 3-Acetate
Grundinformationen
- CAS
63409-10-9- Standard-SMILES
CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/C1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC- InChIKey
SXJMWODQOMKONK-AXZSYZCLSA-N- Summenformel
- C48H79NO18
- Durchschnittliche Molmasse
- 958,1 g/mol
- Monoisotopische Masse
- 957,52971467
Überblick
See also: 3-O-Acetyltylosin (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- Tylosin 3-Acetate
- IUPAC
- [(4R,5S,6S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
- Englischer Name
- Tylosin 3-Acetate
- Summenformel
- C48H79NO18
- Molmasse
- 958.14
Namen und Synonyme
Tylosin 3-Acetate3-O-Acetyltylosin63409-10-9[(4R,5S,6S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetateDTXSID70858550MSK7825SXJMWODQOMKONK-AXZSYZCLSA-NMSK7825-10A3-O-Acetyltylosin Solution in Acetonitrile, 10ug/mL(4R,5S,6S,7R,9R,11E,13E,16R)-15-{[(6-Deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl acetateTylosin 3-Acetate in Methanol3-O-Acetyltylosin Solution, 100ppm
Datenbank-Bezeichner
- CAS
63409-10-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 245 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 19
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 67
- Formalladung
- 0
- Komplexität
- 1.680
Physikochemische Eigenschaften
- Siedepunkt
- 982.33 · 982.330±65.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.24 · 1.240±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.059 · 13.059±0.70(predicted)
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
VerwendenA new acyl derivative of Tylosin (T947650) produced by microbial transformation.
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