C20H23N5O6 ADENOSIE, N-BENZOYOLL-2'-(2-(2-methoxyethyl) - (9CI, Aci)
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 429.43 | - |
| Densidad (gitagna) | 1.53 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 13.15 ± 0.70 | Kadaghanan sa acidic temps: 25 ° C |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC)C=4C=CC=CC4
Isomeric Smile O (CCOC) [C @ H] 1 [C @@ H] (CO) [C (NC = CC = C4) N = C4) N = C4) N = C.
Inchi
Inchi = 1s / C20H23N5O6 / C1-29-7-8-8-16-15 (27-16) 25-11-17-17 0-11,13,15-16,20,26-27h, 7-9h2,1,,,22,24,24-, 20- /,,,,,,,,,,,,,,,,,- / 20- / 6- / 6- / 6- / 20- / 6- / "- / 20- / 6- / 6- / 6- / 6- / "- / 6- / 6- / 20- /- / 20- /,,,,,,,,,- / 20-
Yawe sa inchi
Rufjmcsvnngzfb-Khtyjdqrsa-N
2 ubang mga ngalan alang sa kini nga sangkap
N-benzoyl-2'-o- (2-methoxyethyl) adenosine (Aci); N6-benzoyl-2'-o- (2-methoxyethyl) adenosine
Magamit ang Spectra
1h nmr
13C NMR
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 3.71 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 14.6 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 20.9 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 21.8 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 21.9 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 21.8 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 21.4 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 17.6 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 6.52 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.08 | 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 | 53.2 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 210 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 299 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 312 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 314 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 313 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 306 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 253 | Ph 8; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 93.5 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 15.5 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 1.30 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 1.90 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 2.05 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 2.07 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 2.07 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 2.07 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 2.06 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 1.98 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 1.54 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 0.76 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 2.085 ± 0.689 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.030 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.17 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.0429 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.030 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.036 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.094 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.60 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g / l | Wala'y pulos nga tubig Ph 6.38; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 7.0 x 10-5 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.9 x 10-4 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.00 x 10-4 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.0 x 10-5 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 6.8 x 10-5 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 8.3 x 10-5 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.2 x 10-4 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-3 Mol / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 MOL / L | Wala'y pulos nga tubig Ph 6.38; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 429.43 | ||
| pka | 13.15 ± 0.70 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | 8.80 ± 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 | 1.53 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 280.3 ± 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 | 9 | (1) ACD | |
| H Pagdawat | 11 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H Donor / Pagdawat Sum | 14 | (1) ACD | |
| logP | 2.085 ± 0.689 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 429.43 |
(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 | 141 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
13C NMR
![C21H23N3O5 L-ONNITHINE, N5- (Aminocarbonyl) -n2 - [(9h-fluoren-9-Ylmethoxy) Carbonyl] - (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![118 Re36H44N2o8si UriDine, 5'-BIS (4-methoxyphyphyl) Phenylmethyl] -2'-offyletyl) Dimethylslyl] - (9ci, Aci)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)