Spiro(1,2-dithiolane-3,6'-(19)thia(3,20)diazabicyclo(15.2.1)eicosa(1(20),9,13,15,17)pentaene)-4',5,12'-trione, 4,11'-dihydroxy-2',4,9'-trimethyl-, 2-oxide, (2S,2'R,3R,4R,9'E,11'R,13'E,15'Z)-
Grundinformationen
- CAS
120500-15-4- Standard-SMILES
C/C1=C\[C@@H](O)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)S(=O)SC(=O)[C@]2(C)O- InChIKey
ZHTRILQJTPJGNK-FYBAATNNSA-N- Summenformel
- C22H26N2O6S3
- Durchschnittliche Molmasse
- 510,7 g/mol
- Monoisotopische Masse
- 510,09530007
Überblick
Leinamycin is a member of dithiolanes.
Namen und Bezeichner
- Bevorzugter Name
- Spiro(1,2-dithiolane-3,6'-(19)thia(3,20)diazabicyclo(15.2.1)eicosa(1(20),9,13,15,17)pentaene)-4',5,12'-trione, 4,11'-dihydroxy-2',4,9'-trimethyl-, 2-oxide, (2S,2'R,3R,4R,9'E,11'R,13'E,15'Z)-
- IUPAC
- (2R,4'R,6R,9E,11R,13E,15Z)-4',11-dihydroxy-2,4',9-trimethyl-1'-oxospiro[19-thia-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane]-3',4,12-trione
- Englischer Name
- leinamycin
- Summenformel
- C22H26N2O6S3
- Molmasse
- 510.65
Namen und Synonyme
Leinamycin120500-15-4DC-107(2R,4'R,6R,9E,11R,13E,15Z)-4',11-dihydroxy-2,4',9-trimethyl-1'-oxospiro[19-thia-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane]-3',4,12-trione(2R,4'R,6R,9E,11R,13E,15Z)-4',11-dihydroxy-2,4',9-trimethyl-1'-oxospiro(19-thia-3,20-diazabicyclo(15.2.1)icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane)-3',4,12-trioneRefChem:152712DTXCID401526178Spiro(1,2-dithiolane-3,6'-(19)thia(3,20)diazabicyclo(15.2.1)eicosa(1(20),9,13,15,17)pentaene)-4',5,12'-trione, 4,11'-dihydroxy-2',4,9'-trimethyl-, 2-oxide, (2S,2'R,3R,4R,9'E,11'R,13'E,15'Z)-DTXSID301043761DC 107Streptomyces antibiotic DC-107NSC645777
Weitere Namen anzeigen
(+)-LeinamycinAntibiotic DC 107Spiro[1,2-dithiolane-3,6'-[19]thia[3,20]diazabicyclo[15.2.1]eicosa[1(20),9,13,15,17]pentaene]-4',5,12'-trione, 4,11'-dihydroxy-2',4,9'-trimethyl-, 2-oxide, (2S,2'R,3R,4R,9'E,11'R,13'E,15'Z)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 206 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 935
Physikochemische Eigenschaften
- Dichte
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 10.23 · 10.23±0.70(Predicted)
Chemie und Industrie
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