118 Re36H44N2o8si UriDine, 5'-BIS (4-methoxyphyphyl) Phenylmethyl] -2'-offyletyl) Dimethylslyl] - (9ci, Aci)
KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
Gibug-aton sa molekula | 660.83 | - |
Densidad (gitagna) | 1.24 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (gitagna) | 9.39 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Spyes O = C1C = CN (C (= o) N1) C2OC (C. C. C) (c) (c) (c) (c) (c) (c) (c) (c) (c) (c) (c) c
Isomeric smile
C (OC [c @ h] 1o [c @ h] ([c @ '(c) c = cc) c = c. cc) c = cc) c = cc) c = cc) c = C. C5
Inchi
Inchi = 1s / C36H4444N2O8SI / C1-35 (2,3) 47) 28) 37) (39) (248) 17-27(42-4)18-14-25)26-15-19-28(43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/m1/s1
Yawe sa inchi
KvhqqielphWEPpsy-Wxqjyutssa-n
2 ubang mga ngalan alang sa kini nga sangkap
5'-O- BIS (4-methoxypylyl) Phenylmethyl] -2'-o [1,1-Dimethyletyl) DIDEPYE (ACI); 2'-O-Tert-butyld Mildletylsl-5'-((4,4'- dimeethoxytrityl) uridine
Magamit ang Spectra
1h nmr
13C NMR
Hetero nmr
Misa
Mga kabtangan nga magamit |
Biyikolohiya |
Kimikal |
Density |
Lipinski |
May kalabutan sa istruktura |
Biyikolohiya
Kabtangan | Bili | Kahimtang | Tinubdan |
Factor sa Bioconcentration | 2.21 x 105 | Ph 1; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2.21 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2.21 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2.21 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2.21 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2.21 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2.20 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2.12 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1.54 x 105 | Ph 9; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 42500 | 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 | 2.33 x 105 | Ph 1; Tats: 25 ° C | (1) ACD |
Lang | 2.33 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
Lang | 2.33 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
Lang | 2.33 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
Lang | 2.33 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
Lang | 2.33 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Lang | 2.32 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
Lang | 2.23 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
Lang | 1.62 x 105 | Ph 9; Tats: 25 ° C | (1) ACD |
Lang | 44800 | Ph 10; Tats: 25 ° C | (1) ACD |
troso | 7.33 | Ph 1; Tats: 25 ° C | (1) ACD |
troso | 7.33 | Ph 2; Tats: 25 ° C | (1) ACD |
troso | 7.33 | Ph 3; Tats: 25 ° C | (1) ACD |
troso | 7.33 | Ph 4; Tats: 25 ° C | (1) ACD |
troso | 7.33 | Ph 5; Tats: 25 ° C | (1) ACD |
troso | 7.33 | Ph 6; Tats: 25 ° C | (1) ACD |
troso | 7.33 | Ph 7; Tats: 25 ° C | (1) ACD |
troso | 7.32 | Ph 8; Tats: 25 ° C | (1) ACD |
troso | 7.18 | Ph 9; Tats: 25 ° C | (1) ACD |
troso | 6.62 | Ph 10; Tats: 25 ° C | (1) ACD |
logP | 7.334 ± 0.643 | Tats: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.5 x 10-5 g / l | Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.6 x 10-5 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
Mass Solubility | 5.0 x 10-5 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.9 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
Molar intrinsic solubility | 5.3 x 10-8 MOL / L | Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Molar Solubility | 5.3 x 10-8 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.5 x 10-8 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
Molar Solubility | 7.6 x 10-8 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
Molar Solubility | 2.8 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 660.83 | ||
pka | 9.39 ± 0.10 | Kadaghanan sa acidic 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 | 1.24 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar nga gidaghanon | 528.8 8 ± 5.0 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 | 13 | (1) ACD | |
H Pagdawat | 10 | (1) ACD | |
H donor | 2 | (1) ACD | |
H Donor / Pagdawat Sum | 12 | (1) ACD | |
logP | 7.334 ± 0.643 | Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 660.83 |
(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 | 116 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