C15H21N5O6 Guanosine, 2'-Methyl-N- (2-methyl-1-Oxopropyl) - (9CI, Aci)
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 367.36 | - |
| Densidad (gitagna) | 1.68 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 9.16 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile O = C1N = C (NC (NC (= o) c (c) c) NC2 = CN2C3OC (CN) C (O) C3OC
Isomeric Smile O (C) [C @ H] 1 [C @ H] (N2C3
Inchi
Inchi = 1s / C15H21N5O6 / C1-6 (2) 12 (23) 18-15-17-11-8 (13) 14-15) 9-10) 9-14) 26-14 22h, 4H2,1-3H3, (H2,17,19,24,24)
Yawe sa inchi
Rpulcyxeyodqog-akaijsegsa-n
2 ubang mga ngalan alang sa kini nga sangkap
2'-O-Methyl-N- (2-methyl-1-oxopropyl) guAoanine (Aci);N2-isobutyyl-2'-O-methylguanosine
Magamit ang Spectra
1h nmr
13C NMR
Misa
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 1.0 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 10; Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Kimikal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 2.12 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 8.67 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 12.6 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 13.3 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 13.3 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 13.3 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 13.2 | Ph 7; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 12.5 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 7.85 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 1.76 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | -1.26 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | -0.65 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | -0.49 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | -0.47 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | -0.46 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | -0.46 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | -0.47 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | -0.49 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | -0.69 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | -1.34 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | -0.464 ± 0.636 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.55 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.5 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.84 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.59 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.59 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.96 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g / l | Wala'y tubig nga PH 6.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.5 x 10-3 Mol / l | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 9.6 x 10-3 Mol / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-3 Mol / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-3 Mol / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 Mol / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 Mol / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 1.5 x 10-3 Mol / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 Mol / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-3 Mol / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.6 x 10-3 Mol / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.012 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 Mol / l | Wala'y tubig nga PH 6.00; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 367.36 | ||
| pka | 9.16 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | 1.73 ± 0.10 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Density
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Density | 1.68 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 217.6 ± 7.0 cm3 / Mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Lipinski
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 6 | (1) ACD | |
| H Pagdawat | 11 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H Donor / Pagdawat Sum | 15 | (1) ACD | |
| logP | -0.464 ± 0.636 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 367.36 |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Dapit sa Polar sa Polar | 147 A2 | (1) ACD | |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Magamit ang Spectra
1h nmr
Magamit ang Spectra
13C NMR
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