118 Re36H44N2O8Si Úirídín, 5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′-O-[(1,1-démheitileitile)démheitilsilil]- (9CI, ACI)
Príomhairíonna Fisiceacha | Luach | Coinníoll |
Meáchan Móilíneach | 660.83 | - |
Dlús (Tuartha) | 1.24±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
pKa (Tuartha) | 9.39±0.10 | Teocht is Aigéadaí: 25 °C |
AOIBHÍ Canónacha O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2O[Si](C)(C)C(C)(C)(C)C
Gáirí Isiméireacha
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC= C5
InChI
InChI=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32 )38-22-21-30(39)37-34(38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28(43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-s
Eochair InChI
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Ainm Eile don tSubstaint seo
5′-O-[Bis(4-meatocsaifeinil)feinilmeitil]-2′-O-[(1,1-démheitileitile)démheitilsilil]úiridín (ACI); 2′-O-teirt-búitiledémheitilsilil-5′-O-(4,4′-démheitocsaitrítil)úiridín
Speictrim atá ar fáil
1H NMR
13C NMR
NMR heitreató
Aifreann
Maoine atá ar fáil |
Bitheolaíoch |
Ceimiceach |
Dlús |
Lipinski |
Struchtúr Gaolmhar |
Bitheolaíoch
Maoin | Luach | Coinníoll | Foinse |
Fachtóir Bith-thiúchana | 2.21 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.21 x 105 | pH 2; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.21 x 105 | pH 3; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.21 x 105 | pH 4; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.21 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.21 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.20 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.12 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.54 x 105 | pH 9; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 42500 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
Maoin | Luach | Coinníoll | Foinse |
Koc | 2.33 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 2; Teocht: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 3; Teocht: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 4; Teocht: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Koc | 2.32 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
Koc | 2.23 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Teocht: 25 °C | (1) ACD |
Koc | 44800 | pH 10; Teocht: 25 °C | (1) ACD |
logD | 7.33 | pH 1; Teocht: 25 °C | (1) ACD |
logD | 7.33 | pH 2; Teocht: 25 °C | (1) ACD |
logD | 7.33 | pH 3; Teocht: 25 °C | (1) ACD |
logD | 7.33 | pH 4; Teocht: 25 °C | (1) ACD |
logD | 7.33 | pH 5; Teocht: 25 °C | (1) ACD |
logD | 7.33 | pH 6; Teocht: 25 °C | (1) ACD |
logD | 7.33 | pH 7; Teocht: 25 °C | (1) ACD |
logD | 7.32 | pH 8; Teocht: 25 °C | (1) ACD |
logD | 7.18 | pH 9; Teocht: 25 °C | (1) ACD |
logD | 6.62 | pH 10; Teocht: 25 °C | (1) ACD |
logP | 7.334±0.643 | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mais | 3.5 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-5 g/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-5 g/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-5 g/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.6 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 5.0 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.9 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-5 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mhólar | 5.3 x 10-8 móil/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.3 x 10-8 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.3 x 10-8 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.3 x 10-8 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.3 x 10-8 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Intuaslagthacht Mhólar | 5.3 x 10-8 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.3 x 10-8 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.3 x 10-8 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.5 x 10-8 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 7.6 x 10-8 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 2.8 x 10-7 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.3 x 10-8 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 660.83 | ||
pKa | 9.39±0.10 | Teocht is Aigéadaí: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
Maoin | Luach | Coinníoll | Foinse |
Dlús | 1.24±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
Toirt Mhólach | 528.8±5.0 cm3/mol | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Maoin | Luach | Coinníoll | Foinse |
Bannaí Rothlach Saor in Aisce | 13 | (1) ACD | |
Glacadóirí H | 10 | (1) ACD | |
Deontóirí H | 2 | (1) ACD | |
Suim an Deontóra/Glacadóra H | 12 | (1) ACD | |
logP | 7.334±0.643 | Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 660.83 |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
Maoin | Luach | Coinníoll | Foinse |
Achar Dromchla Polach | 116 A2 | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim atá ar fáil
1H NMR
13C NMR