C44H49N5O7Si Adenosine, N-beinsóil-5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′-O-[(1,1-démheitileitile)démheitilsilil]- (9CI, ACI)
Príomhairíonna Fisiceacha | Luach | Coinníoll |
Meáchan Móilíneach | 787.98 | - |
Dlús (Tuartha) | 1.23±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
pKa (Tuartha) | 7.87±0.43 | Teocht is Aigéadaí: 25 °C |
GÁIRÍ CHANÓNACHA
O=C(NC1=NC=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=7C=CC= CC7
Gáirí Isiméireacha
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(3 8)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/u8-25,27-28,35,37-38,42,50U,26U2,1-7U3,(U,
45,46,48,51)/t35-,37-,38-,42-/m1/s1
Eochair InChI
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Ainm Eile don tSubstaint seo
N-Beinsóil-5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′-O-[(1,1-démheitileitile)démheitilsilil]adainóisín (ACI); N6-Beinsóil-5′-O-(4,4′-démheitocsaitrítil)-2′-O-(teirt-búitiledémheitilsilil)adainóisín
Speictrim atá ar fáil
1H NMR
NMR heitreató
Maoine atá ar fáil |
Bitheolaíoch |
Ceimiceach |
Dlús |
Lipinski |
Struchtúr Gaolmhar |
Bitheolaíoch
Maoin | Luach | Coinníoll | Foinse |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 1; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 2; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 3; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 4; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 5; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 6; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 7; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 8; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.00 x 106 | pH 9; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 5.41 x 105 | 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 | 2.01 x 106 | pH 1; Teocht: 25 °C | (1) ACD |
Koc | 6.87 x 106 | pH 2; Teocht: 25 °C | (1) ACD |
Koc | 9.08 x 106 | pH 3; Teocht: 25 °C | (1) ACD |
Koc | 9.38 x 106 | pH 4; Teocht: 25 °C | (1) ACD |
Koc | 9.39 x 106 | pH 5; Teocht: 25 °C | (1) ACD |
Koc | 9.19 x 106 | pH 6; Teocht: 25 °C | (1) ACD |
Koc | 7.53 x 106 | pH 7; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Koc | 2.73 x 106 | pH 8; Teocht: 25 °C | (1) ACD |
Koc | 4.48 x 105 | pH 9; Teocht: 25 °C | (1) ACD |
Koc | 1.31 x 105 | pH 10; Teocht: 25 °C | (1) ACD |
logD | 9.62 | pH 1; Teocht: 25 °C | (1) ACD |
logD | 10.15 | pH 2; Teocht: 25 °C | (1) ACD |
logD | 10.27 | pH 3; Teocht: 25 °C | (1) ACD |
logD | 10.29 | pH 4; Teocht: 25 °C | (1) ACD |
logD | 10.29 | pH 5; Teocht: 25 °C | (1) ACD |
logD | 10.28 | pH 6; Teocht: 25 °C | (1) ACD |
logD | 10.19 | pH 7; Teocht: 25 °C | (1) ACD |
logD | 9.75 | pH 8; Teocht: 25 °C | (1) ACD |
logD | 8.97 | pH 9; Teocht: 25 °C | (1) ACD |
logD | 8.43 | pH 10; Teocht: 25 °C | (1) ACD |
logP | 10.291±0.708 | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mais | 1.1 x 10-6 g/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 4.8 x 10-6 g/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.4 x 10-6 g/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.1 x 10-6 g/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.0 x 10-6 g/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.0 x 10-6 g/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.0 x 10-6 g/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.3 x 10-6 g/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-6 g/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 2.2 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 7.6 x 10-5 g/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.3 x 10-6 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mhólar | 1.4 x 10-9 móil/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 6.1 x 10-9 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.8 x 10-9 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.4 x 10-9 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.3 x 10-9 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.3 x 10-9 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Intuaslagthacht Mhólar | 1.3 x 10-9 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.6 x 10-9 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 4.5 x 10-9 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 2.8 x 10-8 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 9.6 x 10-8 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.6 x 10-9 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 787.98 | ||
pKa | 7.87±0.43 | Teocht is Aigéadaí: 25 °C | (1) ACD |
pKa | 1.39±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 | 1.23±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
Toirt Mhólach | 639.5±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 | 12 | (1) ACD | |
Deontóirí H | 2 | (1) ACD | |
Suim an Deontóra/Glacadóra H | 14 | (1) ACD | |
logP | 10.291±0.708 | Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 787.98 |
(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 | 139 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