C17H25N5O7 Guanóisín, 2′-O-(2-meatocsaeitile)-N-(2-meitil-1-ocsapróipil)- (9CI, A CI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 411.41 | - |
| Pointe Leá (Turgnamhach) | 137-139.2 °C | - |
| Dlús (Tuartha) | 1.60±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 8.68±0.20 | Teocht is Aigéadaí: 25 °C |
AOIBHÍ Canónacha O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
SMILES Iosiméireacha O=C1C2=C(N(C=N2)[C@H]3[C@H](OCCOC)[C@H](O)[C@@H](CO)O3)NC(NC(C(C)C)=O)=N1
InChI
InChI=1S/C17H25N5O7/c1-8(2)14(25)20-17-19-13-10(15(26)21-17)18 -7-22(13)16-12(28-5-4-27-3)11(24)9(6-23)29-16/h7-9,11-12,16,23- 24H,4-6H2,1-3H3,(H2,19,20,21,25,26)/t9-,11-,12-,16-/m1/s1
Eochair InChI
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Ainm Eile don tSubstaint seo
2′-O-(2-Meatocsaeitile)-N-(2-meitil-1-ocsapróipil)guanosine (ACI)
| Maoine atá ar fáil |
| Teirmeach |
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Pointe Leá | 137-139.2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Núicléasídí, Núicléatídí & Aigéid Núicléacha, (2008), 27(9), 1024-1033, CAplus
Speictrim atá ar fáil
1H NMR
13C NMR
IR
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 1.0 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | 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 | 1.0 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 5.81 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 12.5 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | -2.44 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | -1.60 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | -0.84 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | -0.55 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | -0.50 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | -0.50 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | -0.51 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | -0.58 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | -0.98 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | -1.76 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | -0.497±0.633 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 0.58 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 49 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 7.0 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.2 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.62 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.58 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.58 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.58 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.70 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.7 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 10 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mais | 0.58 g/L | Uisce Gan Maolán pH 5.98; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 1.4 x 10-3 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.12 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.017 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.0 x 10-3 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.5 x 10-3 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.4 x 10-3 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.4 x 10-3 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.4 x 10-3 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.7 x 10-3 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.2 x 10-3 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.025 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.4 x 10-3 móil/L | Uisce Gan Maolán pH 5.98; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 411.41 | ||
| pKa | 8.68±0.20 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | 3.05±0.20 | 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 | 1.60±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 256.2±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 | 12 | (1) ACD | |
| Deontóirí H | 4 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 16 | (1) ACD | |
| logP | -0.497±0.633 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 411.41 |
(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 | 157 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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