C36H39N5O8 Guanóisín, 5′-O-[bis(4-meatocsafheinil)feinilmeitil]-2′-O-meitil-N-(2-meitil-1-ocsapróipil)- (9CI, ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 669.72 | - |
| Dlús (Tuartha) | 1.35±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)C3OC
Gáirí Isiméireacha
C(OC[C@H]1O[C@H]([C@H](OC)[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/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35) 37-20-41(31)34-30(47-5)29(42)27(49-34)19-48-36(22-9-7-6-8-10-2 2,23-11-15-25(45-3)16-12-23)24-13-17-26(46-4)18-14-24/u6-18,20-21,27,29-30,34,42U,19U2,1-5U3,(U2,38,39,40,43,44)/u27-,29-,30-,34
-/m1/s1
Eochair InChI
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Ainm Eile don tSubstaint seo
5′-O-[Bis(4-meatocsafheinil)feinilmeitil]-2′-O-meitil-N-(2-meitil-1-ocsapróipil)guanosine (ACI)
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 797 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2030 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2400 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2450 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2450 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2450 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2420 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2170 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1070 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 195 | 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 | 3020 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 7680 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 9100 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 9270 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 9290 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 9280 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 9170 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 8220 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 4050 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 737 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 4.27 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 4.68 | pH 2; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 4.75 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 4.76 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 4.76 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 4.76 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 4.76 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 4.71 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 4.40 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 4.763±0.722 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 3.1 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 9.4 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 | 3.1 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.1 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.1 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.1 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.1 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.5 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 7.4 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.9 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.1 x 10-4 g/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 4.6 x 10-7 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.4 x 10-6 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.5 x 10-7 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.7 x 10-7 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.6 x 10-7 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.6 x 10-7 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.6 x 10-7 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.6 x 10-7 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.2 x 10-7 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.1 x 10-6 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-6 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 4.6 x 10-7 móil/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 669.72 | ||
| 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 | 1.35±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 494.4±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 | 12 | (1) ACD | |
| Glacadóirí H | 13 | (1) ACD | |
| Deontóirí H | 3 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 16 | (1) ACD | |
| logP | 4.763±0.722 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 669.72 |
(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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