C20H23N5O6 Adenosine, N-beinsóil-2′-O-(2-meatocsaeitile)- (9CI, ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 429.43 | - |
| Dlús (Tuartha) | 1.53±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 13.15±0.70 | Teocht is Aigéadaí: 25 °C |
AOIBHÍ Canónacha O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC)C=4C=CC=CC4
Isiméireacha SMILES O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3
InChI
InChI=1S/C20H23N5O6/c1-29-7-8-30-16-15(27)13(9-26)31-20(16)25 -11-23-14-17(21-10-22-18(14)25)24-19(28)12-5-3-2-4-6-12/h2-6,1 0-11,13,15-16,20,26-27H,7-9H2,1H3,(H,21,22,24,28)/t13-,15-,16-,20-/m1/s1
Eochair InChI
RUFJMCSVNNGZFB-KHTYJDQRSA-N
2 Ainm Eile don tSubstaint seo
N-Beinsóil-2′-O-(2-meatocsaieitile)adainóisín (ACI); N6-Beinsóil-2′-O-(2-meatocsaieitile)adainóisín
Speictrim atá ar fáil
1H NMR
13C NMR
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 3.71 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 14.6 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 20.9 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 21.8 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 21.9 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 21.8 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 21.4 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 17.6 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 6.52 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.08 | 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 | 53.2 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 210 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 299 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 312 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 314 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 313 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 306 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 253 | pH 8; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 93.5 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 15.5 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 1.30 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 1.90 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 2.05 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 2.07 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 2.07 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 2.07 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 2.06 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 1.98 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 1.54 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 0.76 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 2.085±0.689 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 0.030 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.17 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.0429 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.030 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.029 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.029 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.029 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.029 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.036 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.094 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.60 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.029 g/L | Uisce Gan Maolán pH 6.38; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 7.0 x 10-5 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.9 x 10-4 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.00 x 10-4 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.0 x 10-5 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.7 x 10-5 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.7 x 10-5 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.7 x 10-5 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 6.8 x 10-5 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 8.3 x 10-5 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.2 x 10-4 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.4 x 10-3 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.7 x 10-5 móil/L | Uisce Gan Maolán pH 6.38; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 429.43 | ||
| pKa | 13.15±0.70 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | 8.80±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 | 1.53±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 280.3±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 | 9 | (1) ACD | |
| Glacadóirí H | 11 | (1) ACD | |
| Deontóirí H | 3 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 14 | (1) ACD | |
| logP | 2.085±0.689 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 429.43 |
(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 | 141 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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