C17H25N5O7 Guanosin, 2′-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)- (9CI, A CI)
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 411.41 | - |
| Schmelzpunkt (experimentell) | 137–139,2 °C | - |
| Dichte (vorhergesagt) | 1,60 ± 0,1 g/cm3 | Temperatur: 20 °C;Drücken: 760 Torr |
| pKa (vorhergesagt) | 8,68 ± 0,20 | Die sauerste Temperatur: 25 °C |
Kanonisches Lächeln O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeres LÄCHELT 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
InChI-Schlüssel
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Anderer Name für diesen Stoff
2′-O-(2-Methoxyethyl)-N-(2-methyl-1-oxopropyl)guanosin (ACI)
| Eigenschaften verfügbar |
| Thermal |
Thermal
| Eigentum | Wert | Zustand | Quelle |
| Schmelzpunkt | 137–139,2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.;Nucleosides, Nucleotides & Nucleic Acids, (2008), 27(9), 1024-1033, CAplus
Spektren verfügbar
1H-NMR
13C-NMR
IR
| Eigenschaften verfügbar |
| Biologisch |
| Chemisch |
| Dichte |
| Lipinski |
| Strukturbezogen |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1,0 | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemisch
| Eigentum | Wert | Zustand | Quelle |
| Koc | 1,0 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Koc | 1.01 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Koc | 5,81 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Koc | 11.4 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Koc | 12.6 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Koc | 12.7 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Koc | 12.5 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Koc | 10.6 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Koc | 4.20 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Koc | 1,0 | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| logD | -2,44 | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| logD | -1,60 | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| logD | -0,84 | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| logD | -0,55 | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| logD | -0,50 | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| logD | -0,50 | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| logD | -0,51 | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| logD | -0,58 | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| logD | -0,98 | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| logD | -1,76 | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| logP | -0,497 ± 0,633 | Temperatur: 25 °C | (1) ACD |
| Massenintrinsische Löslichkeit | 0,58 g/L | Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 49 g/L | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 7,0 g/L | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,2 g/L | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,62 g/L | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,58 g/L | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,58 g/L | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,58 g/L | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,70 g/L | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,7 g/L | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 10 g/L | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Massenlöslichkeit | 0,58 g/L | Ungepuffertes Wasser pH 5,98;Temperatur: 25 °C | (1) ACD |
| Molare intrinsische Löslichkeit | 1,4 x 10-3 mol/L | Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 0,12 mol/L | pH-Wert 1;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 0,017 mol/L | pH-Wert 2;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 3,0 x 10-3 mol/L | pH-Wert 3;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,5 x 10-3 mol/L | pH-Wert 4;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-3 mol/L | pH-Wert 5;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-3 mol/L | pH-Wert 6;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-3 mol/L | pH-Wert 7;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,7 x 10-3 mol/L | pH-Wert 8;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,2 x 10-3 mol/L | pH-Wert 9;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 0,025 mol/L | pH-Wert 10;Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-3 mol/L | Ungepuffertes Wasser pH 5,98;Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 411.41 | ||
| pKa | 8,68 ± 0,20 | Die sauerste Temperatur: 25 °C | (1) ACD |
| pKa | 3,05 ± 0,20 | Grundtemperatur: 25 °C | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichte
| Eigentum | Wert | Zustand | Quelle |
| Dichte | 1,60 ± 0,1 g/cm3 | Temperatur: 20 °C;Drücken: 760 Torr | (1) ACD |
| Molares Volumen | 256,2 ± 7,0 cm3/mol | Temperatur: 20 °C;Drücken: 760 Torr | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eigentum | Wert | Zustand | Quelle |
| Frei drehbare Anleihen | 9 | (1) ACD | |
| H-Akzeptoren | 12 | (1) ACD | |
| H-Spender | 4 | (1) ACD | |
| H-Geber/Akzeptor-Summe | 16 | (1) ACD | |
| logP | -0,497 ± 0,633 | Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 411.41 |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturbezogen
| Eigentum | Wert | Zustand | Quelle |
| Polaroberfläche | 157 A2 | (1) ACD | |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H-NMR
13C-NMR
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