2-[6-[5-(4,5-Dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Grundinformationen
- CAS
24916-50-5- Standard-SMILES
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O- InChIKey
ACTOXUHEUCPTEW-UHFFFAOYSA-N- Summenformel
- C43H74N2O14
- Durchschnittliche Molmasse
- 843,1 g/mol
- Monoisotopische Masse
- 842,51400504
Namen und Bezeichner
- Bevorzugter Name
- 2-[6-[5-(4,5-Dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- IUPAC
- 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- Englischer Name
- SPIRAMYCIN I
- Summenformel
- C43H74N2O14
- Molmasse
- 843.05
Namen und Synonyme
C43H74N2O14MFCD013145452-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehydeorb1310264orb3025086SCHEMBL29589087s4082s5744spiramycin (undefined stereochemistry)Q130230332-[6-[5-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehydeSPIRAMYCIN I
Weitere Namen anzeigen
Spiramycin AForomacidin AForomacidine ASpiramycin I (>90%)SPIRAMYCIN I STANDARDdemycarosylturimycin HSpiramycin Impurity 9(Spiramycin I)Spiramycin I (contains 6% Spiramycin III)Spiramycin I (Contains up to 6% Spiramycin III)
Datenbank-Bezeichner
- CAS
24916-50-5、8025-81-8- PubChem CID
- 5266
- EC Number
- 232-429-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 195 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 59
- Formalladung
- 0
- Komplexität
- 1.370
Physikochemische Eigenschaften
- Schmelzpunkt
- 134 · 134-1370C
- Siedepunkt
- 913.7 · 913.7±65.0 °C(Predicted)
- Dichte
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.06 · 13.06±0.70(Predicted)
- Farbe
- White to Off-White
- Stabilität
- Moisture Sensitive, Temperature Sensitive
Chemie und Industrie
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Ergänzende Hinweise
DefinitionChEBI: A macrolide antibiotic produced by various Streptomyces species that is used to treat toxoplasmosis and various other infections of soft tissues.
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