C41H51N5O8Si Guanosine, 5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′-O-[(1,1-démheitileitile)démheitilsilil]-N-(2-meitil-1-ocsapróipil)- (9CI, ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 769.96 | - |
| Dlús (Tuartha) | 1.25±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 9.16±0.20 | Teocht is Aigéadaí: 25 °C |
AOIBHÍ Canónacha O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3O[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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39 )42-24-46(35)38-34(54-55(8,9)40(3,4)5)33(47)31(53-38)23-52-41(2 6-13-11-10-12-14-26,27-15-19-29(50-6)20-16-27)28-17-21-30(51-7 )22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1-9H3,(H2,43,44,45,
48,49)/t31-,33-,34-,38-/m1/s1
Eochair InChI
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Ainm Eile don tSubstaint seo
5′-O-[Bis(4-meatocsafheinil)feinilmeitil]-2′-O-[(1,1-démheitileitile)démheitilsilil]-N-(2-meitil-1-ocsapróipil)guanosine (ACI)
Speictrim atá ar fáil
1H NMR
13C NMR
Aifreann
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 1.38 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 3.53 x 105 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 4.18 x 105 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 4.26 x 105 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 4.26 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 4.26 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 4.21 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 3.77 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.86 x 105 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 33800 | 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 | 1.21 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 3.08 x 105 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 3.65 x 105 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 3.72 x 105 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 3.73 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 3.72 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 3.68 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 3.30 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 1.62 x 105 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 29600 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 7.22 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 7.63 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 7.70 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 7.71 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 7.71 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 7.71 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 7.70 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 7.66 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 7.35 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 6.61 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 7.710±0.709 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 2.7 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 8.5 x 10-5 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.3 x 10-5 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.8 x 10-5 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.7 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.7 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.7 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.8 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.1 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 6.2 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.5 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.8 x 10-5 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 3.5 x 10-8 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.1 x 10-7 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.3 x 10-8 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.6 x 10-8 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.5 x 10-8 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.5 x 10-8 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 3.5 x 10-8 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.6 x 10-8 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.0 x 10-8 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 8.1 x 10-8 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.5 x 10-7 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.6 x 10-8 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 769.96 | ||
| pKa | 9.16±0.20 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Teocht is Bunúsaí: 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 | 1.25±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 615.5±7.0 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 | 14 | (1) ACD | |
| Glacadóirí H | 13 | (1) ACD | |
| Deontóirí H | 3 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 16 | (1) ACD | |
| logP | 7.710±0.709 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 769.96 |
(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 | 155 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
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