C17h25N5O7 Guanosine, 2'-O- (II-methoxyethyl) -n- (II-y-methyl, I-oxopropyl) - (9CI, A CI)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 411,41 | - |
| Melting Point (experimentalem) | 137-139.2 ° C | - |
| Density (praedicta) | 1.60 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 8.68 ± 0.20 | Most Acidic Temp: XXV ° C |
= C1n rumidet canonica C (NC (o =) C (c) C) NC2 = C1N = CN2C3OC (Co) C (O) C3OCCCOC
Isomeric smiles o = c1c2 = c (n (c = n2) [C @ h] III [C @ h] (o3), c (NC (C (C) NC (C (C) NC (C) =
INCHI
Inchi = 1s / c17h25N5O7 / C1-8 (II) XIV (XXV) 20-17-19-13-10 (XV (XXVI) 21-17) 18-7-22 (XIII) 16-12 (28-5-4-27-3) 29-16 / H7-9,11-12.116,23 24H, 4-6h2,1-3H3 (H2,19,20,21,25,26) / T9-, 11-, 12-, 16- / M1 / S1
Key Inchi
Izoogjiuochaay, ubedbupssa, n
I aliud nomen huius substantiae
2'-o- (II-methoxyethyl) -n- (II-y-y-Oxopropyl) Guanosine (ACI)
| Proprietatibus praesto |
| Scelerum |
Scelerum
| Res | Valor | Conditio | Fons |
| Point liquescens | 137-139.2 ° C | (I) CAS | |
(I) Taj, Shabbir Ali S.; Nucleosides, nucleic acida nucleotides & (MMVIII), XXVII (IX), 1024-1033, Caplus
Spectra praesto
1h NMR
13c NMR
IR
| 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 | 1.0 | PH I; Temp: XXV ° C | (I) ACD |
| Koc | 1.01 | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 5.81 | PH III; Temp: XXV ° C | (I) ACD |
| Koc | 11.4 | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 12,6 | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 12,7 | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 12,5 | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | 10,6 | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | 4.20 | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH X; Temp: XXV ° C | (I) ACD |
| logd | -2.44 | PH I; Temp: XXV ° C | (I) ACD |
| logd | -1.60 | PH II; Temp: XXV ° C | (I) ACD |
| logd | -0.84 | PH III; Temp: XXV ° C | (I) ACD |
| logd | -0.55 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | -0.50 | PH V; Temp: XXV ° C | (I) ACD |
| logd | -0.50 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | -0.51 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | -0.58 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | -0.98 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | -1.76 | PH X; Temp: XXV ° C | (I) ACD |
| logp | -0.497 ± 0.633 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 0.58 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | XLIX g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 7.0 g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 1.2 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.62 G / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.58 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.58 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.58 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0,70 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 1.7 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | X g / l | PH X; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Missam solubility | 0.58 g / l | Unbuffered aqua PH 5.98; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 10-3 Mol 1-3 / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.12 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.017 MOL / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol X 3.0 / 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 1-3 / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol 1-3 / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol 1-3 / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-3 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-3 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.025 MOL / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-3 Mol 1-3 / l | Unbuffered aqua PH 5.98; Temp: XXV ° C | (I) ACD |
| Pondus | 411,41 | ||
| PKA | 8.68 ± 0.20 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 3.05 ± 0.20 | 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 | 1.60 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 256,2 ± 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 | 9 | (I) ACD | |
| H acceptors | 12 | (I) ACD | |
| H donos | 4 | (I) ACD | |
| H donator / Acceptor Sum | 16 | (I) ACD | |
| logp | -0.497 ± 0.633 | Temp: XXV ° C | (I) ACD |
| Pondus | 411,41 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CLVII A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
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