C15H21N5O6 Guanosine, 2'-O-Methyl-N- (II-Methyl, I-Oxopropyl) - (9CI, ACI)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 367,36 | - |
| Density (praedicta) | 1.68 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 9.16 ± 0.20 | Most Acidic Temp: XXV ° C |
= C1N = c1n smiles canonica (NC (o =) C (c) C) NC2 = C1N = CN2C3OC (Co) C (O) C3OC
Isomericum risum ridet (c) [c @ h] I [C @ h] (n2c3 = c (n = c2), c (c (c) = c] c (C) o [c] = (C), [@ h] (C) O [@] 1o
INCHI
Inchi = 1s / c15h21n5o6 / c1-6 (II) XII (XXIII) 18-15-17-11-8 (XIII (XXIV) 19-15) 16-5-20 (XI) 14-10 (25-3) 26-14 / H5-7,9-10,14,21- IX 22H, 4H2,1-3H3 (H2,17,18,19,23,24) / T7-, 9-, 10-, 14- / M1 / S1
Key Inchi
Rpulccyxeyodqog, akaijsegsa, n
II aliis nominibus hanc substantiam
2'-O-Methyl-N- (II-methyl-I-oxopropyl) Guanosine (aci);NII-isobutylyl, 2'-O-methylguanosine
Spectra praesto
1h NMR
13c NMR
Missa
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | 1.0 | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | 2,12 | PH I; Temp: XXV ° C | (I) ACD |
| Koc | 8.67 | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 12,6 | PH III; Temp: XXV ° C | (I) ACD |
| Koc | 13,3 | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 13,3 | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 13,3 | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 13,2 | PH VII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | 12,5 | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | 7.85 | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | 1.76 | PH X; Temp: XXV ° C | (I) ACD |
| logd | -1.26 | PH I; Temp: XXV ° C | (I) ACD |
| logd | -0.65 | PH II; Temp: XXV ° C | (I) ACD |
| logd | -0.49 | PH III; Temp: XXV ° C | (I) ACD |
| logd | -0.47 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | -0.46 | PH V; Temp: XXV ° C | (I) ACD |
| logd | -0.46 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | -0.47 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | -0.49 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | -0.69 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | -1.34 | PH X; Temp: XXV ° C | (I) ACD |
| logp | -0.464 ± 0.636 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 0.55 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 3,5 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.84 G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.59 G / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.55 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.55 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.55 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.55 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.59 G / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.96 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 4.4 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.55 g / l | Unbuffered aqua PH 6.00; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 10-3 Mol X 1-3 / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 9.6 x 10-3 mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.3 X 10-3 mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol X 1-3 / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol X 1-3 / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol X 1-3 / l | PH V; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 10-3 Mol X 1-3 / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol X 1-3 / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol X 1-3 / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.6 X 10-3 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.012 MOL / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol X 1-3 / l | Unbuffered aqua PH 6.00; Temp: XXV ° C | (I) ACD |
| Pondus | 367,36 | ||
| PKA | 9.16 ± 0.20 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 1.73 ± 0.10 | Maxime basic temp: XXV ° | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.68 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 217.6 ± 7.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 6 | (I) ACD | |
| H acceptors | 11 | (I) ACD | |
| H donos | 4 | (I) ACD | |
| H donator / Acceptor Sum | 15 | (I) ACD | |
| logp | -0.464 ± 0.636 | Temp: XXV ° C | (I) ACD |
| Pondus | 367,36 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CXLVII A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
Spectra praesto
13c NMR
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