C17H25N5O7 Guanóisín, 2′-O-(2-methocsaitil)-N-(2-meitil-1-ocsapróipil)- (9CI, A CI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 411.41 | - |
| Leáphointe (Turgnamhach) | 137-139.2 °C | - |
| Dlús (Tuartha) | 1.60±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr |
| pKa (Tuartha) | 8.68±0.20 | Teocht is Airde: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeric SMILES O=C1C2=C(N(C=N2)(C@H]3[C@H](OCCOC)[C@H)(O)(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-Meitiocsaieitil)-N-(2-meitil-1-ocsapropil)guanósín (ACI)
| Airíonna ar fáil |
| Teirmeach |
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Leáphointe | 137-139.2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.;Núiclé-sídí, Núicléatídí & Aigéid Núicléacha, (2008), 27(9), 1024-1033, CAplus
Spectra ar fáil
1H NMR
13C NMR
IR
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 1.0 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 3;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 4;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 5;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 6;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 7;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 10;Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 1.0 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 1. 01 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 5.81 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 11.4 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 12.6 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 12.7 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 12.5 | pH 7;Teocht: 25 °C | (1) ACD |
| Cóc | 10.6 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 4.20 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 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 |
| Tuaslagthacht Intreach Aifrinn | 0.58 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 49 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 7.0 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.2 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.62 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.58 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.58 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.58 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.70 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 10 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Aifreann | 0.58 g/L | Uisce Neamh-mhaolaithe pH 5.98;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.4 x 10-3 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.12 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.017 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.0 x 10-3 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.5 x 10-3 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-3 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-3 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-3 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.7 x 10-3 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.2 x 10-3 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.025 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-3 mol/L | Uisce Neamh-mhaolaithe pH 5.98;Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 411.41 | ||
| pKa | 8.68±0.20 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.05±0.20 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.60±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 256.2±7.0 cm3/mól | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 9 | (1) ACD | |
| H Glacadóirí | 12 | (1) ACD | |
| H Deontóirí | 4 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 16 | (1) ACD | |
| logP | -0.497±0.633 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 411.41 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 157 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
13C NMR
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