C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 367.36 | - |
| To'atele (Va'ai) | 1.68±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
| pKa (vala'aina) | 9.16±0.20 | Le Tele o le Acid Temp: 25 °C |
O'O'ITA'I fa'akomepiuta O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomeric SMILES O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[ C@H](CO)[C@H]1O
InChI
InChI=1S/C15H21N5O6/c1-6(2)12(23)18-15-17-11-8(13(24)19-15)16-5-20(11)14-10(25-3) 9(22)7(4-21)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7- ,9-,10-,14-/m1/s1
InChI Ki
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Isi Igoa mo lea Mea
2′-O-Methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosine
Spectra avanoa
1H NMR
13C NMR
Misasa
| Meatotino avanoa |
| Fa'aolaola |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
Fa'aolaola
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 1.0 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 2.12 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 12.5 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Maalili: 25 °C | (1) ACD |
| ogalaauD | -1.26 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.65 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.49 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.47 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.46 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.46 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.47 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.49 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.69 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | -1.34 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 0.55 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.5 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.84 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.59 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.59 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.96 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.4 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | Suavai e le fa'afefe pH 6.00; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.5 x 10-3 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 9.6 x 10-3 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-3 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-3 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-3 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.6 x 10-3 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 0.012 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | Suavai e le fa'afefe pH 6.00; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 367.36 | ||
| pKa | 9.16±0.20 | Le Tele o le Acid Temp: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Vave Autu: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
| Meatotino | Taua | Tulaga | Punavai |
| Malosi | 1.68±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 217.6±7.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 6 | (1) ACD | |
| H Tagata talia | 11 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 15 | (1) ACD | |
| logP | -0.464±0.636 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 367.36 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Polar Surface Area | 147 A2 | (1) ACD | |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
Spectra avanoa
13C NMR
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