2-[[(3aR,4S,6R,6aS)-6-[[3-[(3aR,4S,6R,6aS)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-7-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
Grundinformationen
- CAS
2205903-74-6- Standard-SMILES
CCCSc1nc(N[C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@H]32)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1- InChIKey
SNTFJDJWCOQZIG-LBRWCHEZSA-N- Summenformel
- C27H42N6O8S
- Durchschnittliche Molmasse
- 610,7 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 2-[[(3aR,4S,6R,6aS)-6-[[3-[(3aR,4S,6R,6aS)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-7-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
- IUPAC
- 2-[[(3aR,4S,6R,6aS)-6-[[3-[(3aR,4S,6R,6aS)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-7-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
- Englischer Name
- Ticagrelor Related Compound
- Summenformel
- C27H42N6O8S
- Molmasse
- 610.73
Namen und Synonyme
2205903-74-6CS-01657302-(((3aR,4S,6R,6aS)-6-((3-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol2-(((3aR,4S,6R,6aS)-6-((3-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol? (T2-(((3AR,4S,6R,6aS)-6-((3-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol2-(((3aR,4S,6R,6aS)-6-((3-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)-2,2-dimethyltetra
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 190 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 42
- Formalladung
- 0
- Komplexität
- 924
Physikochemische Eigenschaften
- Siedepunkt
- 825.2 · 825.2±75.0 °C(Predicted)
- Dichte
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 14.33 · 14.33±0.10(Predicted)
Zugehörige Reaktionen
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