2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl]-, (3aR,4R,5R,6aS)

HCID 58700543

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Grundinformationen

CAS: 856240-62-5
Standard-SMILES: OC1C[C@@H]2[C@@H](/C=C/[C@@H](O)CCc3ccccc3)[C@H](O)C[C@@H]2O1
InChIKey: RNAMHSGURHWMND-WDZZDFEJSA-N
Summenformel: C18H24O4
Durchschnittliche Molmasse: 304,4 g/mol

Namen und Bezeichner

Bevorzugter Name: 2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl]-, (3aR,4R,5R,6aS)
IUPAC: (3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
Englischer Name: CHEMPACIFIC 59929
Summenformel: C18H24O4
Molmasse: 304.38

Namen und Synonyme

856240-62-52H-Cyclopenta(b)furan-2,5-diol, hexahydro-4-((1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl)-, (3aR,4R,5R,6aS)2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl]-, (3aR,4R,5R,6aS)RefChem:484265807-842-5(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-2,5-diol (Bimatoprost Impurity)(3aR,4R,5R,6aS)-4-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2,5-diol(3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2,5-diolBimatoprost Impurity 21RNAMHSGURHWMND-WDZZDFEJSA-N2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-; 2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]-, (3aR,4R,5R,6aS)-; (3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenyl-pent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol

Weitere Namen anzeigen

lactoltriolCHEMPACIFIC 59929Bemeprost Impurity 15Bimatoprost Impurity 16(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-2,5-diol(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]fur2H-CYCLOPENTA[B]FURAN-2,5-DIOL, HEXAHYDRO-4-[(1E,3S)-3-HYDROXY-5-PHENYL-1-PENTENYL]-, (3AR,4R,5R,6AS)-

Bimatoprost Impurity QWM5RQU4N2RSCHEMBL12076251WLZ3886(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-2,5-diol (Bim2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexa hydro-2H-cyclopenta[b]furan-2,5-diolHexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2,5-diol, (3aR,4R,5R,6aS)-

Datenbank-Bezeichner

CAS: 856240-62-5
PubChem CID: 58700543
UNII: WM5RQU4N2R
EC Number: 807-842-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 69,9 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 22
Formalladung: 0
Komplexität: 377

Physikochemische Eigenschaften

Siedepunkt: 506.7 · 506.7±50.0 °C(Predicted)
Dichte: 1.292 · 1.292±0.06 g/cm3(Predicted)
pka: 13.05 · 13.05±0.60(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS ClassificationNot Classified

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Chemie und Industrie

Anwendungen

Verwenden(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-2,5-diol is the impurity in the synthesis of bimatoprost (B386800), an antiglaucoma drug and analog of prostaglandin.