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C31H32N2O8 Úirídín, 5′-O-[bis(4-meatocsafeinil)feinilmeitil]-2′-O-meitil- (9C I, ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 560.60 | - |
| Dlús (Tuartha) | 1.35±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)C2OC
Isiméireacha SMILES C(OC[C@H]1O[C@H]([C@H](OC)[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/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/u4-18,25,27-29,35U,19U2,1-3U3,(U,32,34,36)/t25-,27-,28-,29-/m1/s1
Eochair InChI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Ainm Eile don tSubstaint seo
5′-O-[Bis(4-meatocsafeinil)feinilmeitil]-2′-O-meitilúiridín (ACI); 5′-O-(4,4′-Démeatocsatrítil)-2′-O-meitilúiridín
Speictrim atá ar fáil
1H NMR
Aifreann
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 1240 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1240 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1240 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1240 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1240 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1240 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1230 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1190 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 861 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 238 | 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 | 5690 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 5690 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 5690 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 5690 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 5690 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 5690 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 5670 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 5450 | pH 8; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 3960 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 1100 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 4.37 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 4.37 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 4.37 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 4.37 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 4.37 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 4.37 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 4.37 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 4.35 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 4.21 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 4.372±0.582 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 3.7 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.7 x 10-4 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.7 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.7 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.7 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.7 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.7 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.7 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.8 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 5.3 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.9 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.7 x 10-4 g/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 6.6 x 10-7 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.6 x 10-7 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.6 x 10-7 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.6 x 10-7 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.6 x 10-7 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.6 x 10-7 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.6 x 10-7 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 6.6 x 10-7 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.8 x 10-7 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 9.4 x 10-7 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.4 x 10-6 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.6 x 10-7 móil/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 560.60 | ||
| 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 | 1.35±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 412.9±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 | 11 | (1) ACD | |
| Glacadóirí H | 10 | (1) ACD | |
| Deontóirí H | 2 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 12 | (1) ACD | |
| logP | 4.372±0.582 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 560.60 |
(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
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