C17H25N5O7 Guanosinum, 2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)- (9Cl, A Cl)
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 411.41 | - |
| Punctum Liquefactionis (Experimentale) | 137-139.2°C | - |
| Densitas (Praedicta) | 1.60±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 8.68±0.20 | Temperatura Acida Maxima: 25°C |
SMILES Canonici O = C1N = C(NC(=O)C(C)C)NC2 = C1N = CN2C3OC(CO)C(O)C3OCCOC
SMILES Isomerica 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)
Clavis InChI
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Aliud Nomen pro hac Substantia
2'-O-(2-Methoxyethyl)-N-(2-methyl-1-oxopropyl)guanosinum (ACI)
| Proprietates praesto |
| Thermalis |
Thermalis
| Possessio | Valor | Conditio | Fons |
| Punctum Liquefactionis | 137-139.2°C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Nucleosida, Nucleotida et Acida Nucleica, (2008), 27(9), 1024-1033, CAplus.
Spectra praesto sunt
1H NMR
13C NMR
IR
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 1.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chemica
| Possessio | Valor | Conditio | Fons |
| Koc | 1.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 1.01 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 5.81 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 11.4 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 12.6 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 12.7 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 12.5 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 10.6 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 4.20 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | -2.44 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | -1.60 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | -0.84 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | -0.55 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | -0.50 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | -0.50 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | -0.51 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | -0.58 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | -0.98 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | -1.76 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | -0.497±0.633 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 0.58 g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 49 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 7.0 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.2 g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.62 g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.58 g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.58 g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.58 g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.70 g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.7 g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 10 g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Massae | 0.58 g/L | Aqua non tamponata pH 5.98; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 1.4 × 10⁻³ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.12 mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.017 mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.0 × 10⁻³ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.5 × 10⁻³ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻³ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻³ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻³ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.7 × 10⁻³ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.2 × 10⁻³ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.025 mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻³ mol/L | Aqua non tamponata pH 5.98; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 411.41 | ||
| pKa | 8.68±0.20 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 3.05±0.20 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Densitas
| Possessio | Valor | Conditio | Fons |
| Densitas | 1.60±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 256.2±7.0 cm³/mol | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 9 | (1) ACD | |
| Acceptores H | 12 | (1) ACD | |
| Donatores H | 4 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 16 | (1) ACD | |
| logP | -0.497±0.633 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 411.41 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 157 A2 | (1) ACD | |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
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