![118 RE36H44N2O8SI Uridino, 5′-O- [BIS (4-metoxifenil) fenilmetil] -2′-O-[(1,1- dimetiletil) dimetilsilyl]-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 RE36H44N2O8SI Uridino, 5′-O- [BIS (4-metoxifenil) fenilmetil] -2′-O-[(1,1- dimetiletil) dimetilsilyl]-(9ci, aci) prezentita bildo](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 RE36H44N2O8SI Uridino, 5′-O- [BIS (4-metoxifenil) fenilmetil] -2′-O-[(1,1- dimetiletil) dimetilsilyl]-(9ci, ACI)
| Ŝlosilaj fizikaj ecoj | Valoro | Kondiĉo |
| Molekula pezo | 660.83 | - |
| Denseco (antaŭdirita) | 1.24 ± 0,1 g/cm3 | Temp: 20 ° C; Gazetaro: 760 Torr |
| PKA (antaŭdirita) | 9,39 ± 0,10 | Plej acida temp: 25 ° C |
Kanonikaj ridetoj O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2O [Si] (C) (C) C (C) (C) (C) (C) C (
Izomeraj ridetoj
C (OC [C@H] 1O [C@H] ([C@H] (O [Si] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC =
Inchi
Inchi = 1S/C36H44N2O8SI/C1-35 (2,3) 47 (6,7) 46-32-31 (40) 29 (45-33 (32) 38-22-21-30 (39) 37-34 (38) 41) 23-44-36 (24-11-9-8-12-3-3-24-24-24-34-34-36 (24-11-9-8-12-3-3-24-24-24-24-34-36 (24-11-9-8-12-24-3-3-3-3-24-24-24-24-24-24-24-24-3-3-3-24-24 (24-11 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
Inchi -ŝlosilo
Kvhqielphwjpsy-wxqjyutrsa-n
2 Aliaj nomoj por ĉi tiu substanco
5′-O- [BIS (4-metoxifenil) fenilmetil] -2′-O-[(1,1-dimetiletil) dimetilsilil] uridino (ACI); 2′-O-TERT-BUTYLIMIMETHYLILIL-5′-O- (4,4′- DIMETOXYTRITYL) Uridino
Spektroj haveblaj
1h NMR
13C NMR
Hetero NMR
Meso
| Haveblaj havaĵoj |
| Biologia |
| Kemia |
| Denseco |
| Lipinski |
| Rilata strukturo |
Biologia
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Bioconcentra faktoro | 2.21 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.21 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.21 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.21 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.21 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.20 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.12 x 105 | ph 8; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1,54 x 105 | ph 9; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 42500 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Kemia
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| KOC | 2.33 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| KOC | 2.32 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 2.23 x 105 | ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 1.62 x 105 | ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 44800 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 7.32 | ph 8; Temp: 25 ° C | (1) ACD |
| logd | 7.18 | ph 9; Temp: 25 ° C | (1) ACD |
| logd | 6.62 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.334 ± 0.643 | Temp: 25 ° C | (1) ACD |
| Masa intrinseka solvebleco | 3,5 x 10-5 g/L | Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-5 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-5 g/L | pH 2; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-5 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-5 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-5 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-5 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-5 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,6 x 10-5 g/L | ph 8; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 5,0 x 10-5 g/L | ph 9; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 1.9 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-5 g/L | Nebuligita akvo pH 7.00; Temp: 25 ° C | (1) ACD |
| Molara intrinseka solvebleco | 5.3 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 5.3 x 10-8 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 5.3 x 10-8 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 5.3 x 10-8 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 5.3 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Molara solvebleco | 5.3 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 5.3 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 5.3 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 5,5 x 10-8 mol/l | ph 8; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 7,6 x 10-8 mol/l | ph 9; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 2.8 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 5.3 x 10-8 mol/l | Nebuligita akvo pH 7.00; Temp: 25 ° C | (1) ACD |
| Molekula pezo | 660.83 | ||
| PKA | 9,39 ± 0,10 | Plej acida temp: 25 ° C | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Denseco
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Denseco | 1.24 ± 0,1 g/cm3 | Temp: 20 ° C; Gazetaro: 760 Torr | (1) ACD |
| Molara volumo | 528,8 ± 5,0 cm3/mol | Temp: 20 ° C; Gazetaro: 760 Torr | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Libere rotacieblaj ligoj | 13 | (1) ACD | |
| H Akceptantoj | 10 | (1) ACD | |
| H Donacantoj | 2 | (1) ACD | |
| H donacanto/akceptanta sumo | 12 | (1) ACD | |
| logp | 7.334 ± 0.643 | Temp: 25 ° C | (1) ACD |
| Molekula pezo | 660.83 |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Rilata strukturo
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Polusa surfaco | 116 A2 | (1) ACD | |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Spektroj haveblaj
1h NMR
13C NMR
![C39H37N5O7 Adenosino, N-Benzoyl-5′-O- [BIS (4-metoxifenil) Fenilmetil] -2′- O-Metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, Aci)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
![C50H58N7O9P Adenosino, N-Benzoyl-5 ′ -O- [BIS (4-metoxifenil) Fenilmetil] -2 ′-O- (2-Metoxitil)-, 3 ′-[2-cianoetil N, N-BIS (1-methylethyly-metro.](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C44H49N5O7SI Adenosino, N-Benzoyl-5′-O- [BIS (4-metoxifenil) Fenilmetil] -2′- O-[(1,1-dimetiletil) dimetilsilyl]-(9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C41H49FN5O8P citidino, N-acetil-5 ′ -O- [BIS (4-metoxifenil) fenilmetil] -2 ′-deoxy-2 f-fluotito (1-methylylyy-[2-cianoetil N, (1-methylylylylyl)](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine-300x300.png)