![118 RE36H44N2O8SI-uridin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl]-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 RE36H44N2O8SI-uridin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl]-(9ci, ACI) presenterad bild bild](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 RE36H44N2O8SI-uridin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl]-(9ci, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 660.83 | - |
| Densitet (förutspådd) | 1,24 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 9.39 ± 0,10 | Mest sura temp: 25 ° C |
Kanoniska leenden 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 = C5) C (O) C2O [Si] (C) (C) C (C) (C) C)
Isomer leenden
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(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC= C5
Tum
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) 23-444-36 (24-11-9-9-9-10-10-10-104,24,23-23-2 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 -nyckel
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2 andra namn för detta ämne
5'-o-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl] uridin (ACI); 2'-o-tert-butyldimetylsilyl-5'-o- (4,4'-dimetoxytrityl) uridin
Spektra tillgängligt
1H NMR
13C NMR
Hetero nmr
Massa
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,20 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,12 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,54 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 42500 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| 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 |
| Egendom | Värde | Skick | Källa |
| 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 |
| inloggning | 7.334 ± 0,643 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 3,5 x 10-5 g/L | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-5 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-5 g/L | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-5 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-5 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-5 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-5 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-5 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,6 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5,0 x 10-5 g/L | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,9 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-5 g/L | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 5,3 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,3 x 10-8 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,3 x 10-8 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,3 x 10-8 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,3 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 5,3 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,3 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,3 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,5 x 10-8 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 7,6 x 10-8 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,8 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,3 x 10-8 mol/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 660.83 | ||
| pka | 9.39 ± 0,10 | Mest sura temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,24 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 528,8 ± 5,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 13 | (1) ACD | |
| H acceptorer | 10 | (1) ACD | |
| H givare | 2 | (1) ACD | |
| H givare/acceptor summa | 12 | (1) ACD | |
| inloggning | 7.334 ± 0,643 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 660.83 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 116 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
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