C17H25N5O7 Guanosine, 2′-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-
| Key Physical Properties | Precium | Conditio |
| M. Pondus | 411.41 | - |
| Liquefactio Point (Experimentalis) | 137-139.2 °C | - |
| Densitas (Predicted) | 1.60±0.1 g/cm3 | Temp: 20 °C;Press: 760 Torr |
| pKa (Predicta) | 8.68±0.20 | Most acidic Temp: 25 °C |
CANONICI 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)[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 Key
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Alii nomen huic substantiae
2′-O.
| Properties praesto |
| Scelerisque |
Scelerisque
| Property | Precium | Conditio | Source |
| Liquescens punctum | 137-139.2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.;Nucleosides, Nucleotides & Nucleic Acides, (2008), 27(9), 1024-1033, CAplus
Spectra praesto
1H NMR
13C NMR
IR
| Properties praesto |
| Biological |
| Chemical |
| Density |
| Lipinski |
| Structure Related |
Biological
| Property | Precium | Conditio | Source |
| Bioconcentration Factor | 1.0 | pH 1;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10;Temp: 25 °C | (1) ACD |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Property | Precium | Conditio | Source |
| Koc | 1.0 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 5.81 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 12.5 | pH 7;Temp: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10;Temp: 25 °C | (1) ACD |
| logD | -2.44 | pH 1;Temp: 25 °C | (1) ACD |
| logD | -1.60 | pH 2;Temp: 25 °C | (1) ACD |
| logD | -0.84 | pH 3;Temp: 25 °C | (1) ACD |
| logD | -0.55 | pH 4;Temp: 25 °C | (1) ACD |
| logD | -0.50 | pH 5;Temp: 25 °C | (1) ACD |
| logD | -0.50 | pH 6;Temp: 25 °C | (1) ACD |
| logD | -0.51 | pH 7;Temp: 25 °C | (1) ACD |
| logD | -0.58 | pH 8;Temp: 25 °C | (1) ACD |
| logD | -0.98 | pH 9;Temp: 25 °C | (1) ACD |
| logD | -1.76 | pH 10;Temp: 25 °C | (1) ACD |
| logP | -0.497±0.633 | Temp: 25 °C | (1) ACD |
| Missa Solubilitas intrinseca | 0.58 g/L | Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 49 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 7.0 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 1.2 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 0.62 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 0.58 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 0.58 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 0.58 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 0.70 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 1.7 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Missa Solubilitas | 10 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Property | Precium | Conditio | Source |
| Missa Solubilitas | 0.58 g/L | Aquam non gratuitam pH 5.98;Temp: 25 °C | (1) ACD |
| Molares Intrinsicas Solubility | 1.4 x 10-3 mol/L | Temp: 25 °C | (1) ACD |
| Molares Solubility | 0.12 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Molares Solubility | 0.017 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molares Solubility | 3.0 x 10-3 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.5 x 10-3 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.4 x 10-3 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.4 x 10-3 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.4 x 10-3 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.7 x 10-3 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molares Solubility | 4.2 x 10-3 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molares Solubility | 0.025 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molares Solubility | 1.4 x 10-3 mol/L | Aquam non gratuitam pH 5.98;Temp: 25 °C | (1) ACD |
| M. Pondus | 411.41 | ||
| pKa | 8.68±0.20 | Most acidic Temp: 25 °C | (1) ACD |
| pKa | 3.05±0.20 | Most Basic Temp: 25 °C | (1) ACD |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Density
| Property | Precium | Conditio | Source |
| Density | 1.60±0.1 g/cm3 | Temp: 20 °C;Press: 760 Torr | (1) ACD |
| Molar Volume | 256.2±7.0 cm3/mol | Temp: 20 °C;Press: 760 Torr | (1) ACD |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Property | Precium | Conditio | Source |
| Sponte rotatable vincula | 9 | (1) ACD | |
| H. Acceptores | 12 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| logP | -0.497±0.633 | Temp: 25 °C | (1) ACD |
| M. Pondus | 411.41 |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| Property | Precium | Conditio | Source |
| Superficies Polar Area | 157 A2 | (1) ACD | |
(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto
1H NMR
13C NMR
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