11beta-Fluoro-7alpha-{5-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluor-undecyl)-methyl-amino]-pentyl}-estra-1,3,5(10)-triene-3,17beta-diol
Grundinformationen
- Standard-SMILES
CN(CCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@H](O)[C@@]1(C)C[C@@H]2F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
NRAKDZUKEVBRQK-OTHJXEENSA-N- Summenformel
- C35H41F18NO2
- Durchschnittliche Molmasse
- 849,7 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 11beta-Fluoro-7alpha-{5-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluor-undecyl)-methyl-amino]-pentyl}-estra-1,3,5(10)-triene-3,17beta-diol
- IUPAC
- (7R,8S,9S,11S,13S,14S,17S)-11-fluoro-7-[5-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(methyl)amino]pentyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Namen und Synonyme
SCHEMBL3876224NRAKDZUKEVBRQK-OTHJXEENSA-N11beta-fluoro-7alpha-{5-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluor-undecyl)-methyl-amino]-pentyl}-estra-1,3,5(10)-triene-3,17beta-diol11beta-fluoro-7alpha-{5-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluor-undecyl)-methyl-amino]-pentyl}-estra-1,3,5(10)-triene-3,17betadiol
Datenbank-Bezeichner
- PubChem CID
- 15858651
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 11,8
- Polarare Oberfläche (TPSA)
- 43,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 21
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 56
- Formalladung
- 0
- Komplexität
- 1.340
Zugehörige Reaktionen
1
Notizen zur Verbindung
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