Peramivir Impurity 36
Grundinformationen
- CAS
383910-25-6- Standard-SMILES
CCC(CC)C1=NO[C@@H]2[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C(=O)OC- InChIKey
WYUYCGDXMIJIAZ-XFMPKHEZSA-N- Summenformel
- C18H30N2O5
- Durchschnittliche Molmasse
- 354,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Peramivir Impurity 36
- IUPAC
- methyl (3aS,4R,6S,6aR)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate
- Englischer Name
- methyl (3aS,4R,6S,6aR)-4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-6-carboxylate
- Summenformel
- C18H30N2O5
- Molmasse
- 354.44
Namen und Synonyme
383910-25-6Methyl (3aS,4R,6S,6aR)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylatePeramivir Impurity 36(3aS,4S,6R,6aR)-6-(N-Boc-amino)-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-4-carboxylic Acid Methyl Ester(3aS,4R,6S,6aR)-methyl 4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylateMethyl (3aS,4R,6S,6aR)-4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-6-carboxylateACS8048-608Paramivir impurity 8Peramivir impurities4Peramivir impurities450Peramivir Impurity 6/(3aS,4R,6S,6aR)-Methyl 4-(tert-butoxycarbonyl)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate(3aR, 4R, 6S, 6aS) -4- [tert butoxycarbonylamino] -3- (1-ethylpropyl) -3a, 5,6,6a tetrahydro-4H-cyclopentano [d] isoxazole-6-carboxylic acid methyl ester
Weitere Namen anzeigen
4H-Cyclopent[d]isoxazole-6-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-, methyl ester, (3aS,4R,6S,6aR)-
Datenbank-Bezeichner
- CAS
383910-25-6- Nikkaji
- J1.668.277B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 86,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 536
Physikochemische Eigenschaften
- Dichte
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 11.61 · 11.61±0.60(Predicted)
- InChI
- InChI=1S/C18H30N2O5/c1-7-10(8-2)14-13-12(19-17(22)24-18(3,4)5)9-11(16(21)23-6)15(13)25-20-14/h10-13,15H,7-9H2,1-6H3,(H,19,22)/t11-,12+,13-,15-/m0/s1
- InChIKey
- WYUYCGDXMIJIAZ-XFMPKHEZSA-N
- SMILES
- O1[C@@]2([H])[C@@H](C(OC)=O)C[C@@H](NC(OC(C)(C)C)=O)[C@@]2([H])C(C(CC)CC)=N1
Chemie und Industrie
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