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118 RE36H44N2O8SI Uridin, 5'-o- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1-dimethylethyl) dimethylsilyl]-(9CI, ACI)
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 660.83 | - |
| Dichte (vorhergesagt) | 1,24 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr |
| PKA (vorhergesagt) | 9,39 ± 0,10 | Säurigste Temperatur: 25 ° C |
Kanonisches Lächeln 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) c
Isomeres Lächeln
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 = C5) C (C (C5) C (C5) C (C5)
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 (24-1111-9-9-10-10-12-13-36) 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 -Schlüssel
Kvhqielphwjpsy-wxqjyutrsa-n
2 andere Namen für diese Substanz
5'-o- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1-dimethylethyl) dimethylsilyl] Uridin (ACI); 2'-o-tert-butyldimethylsilyl-5'-O- (4,4'-dimethoxytrityl) Uridin
Spektren verfügbar
1H NMR
13c nmr
Hetero NMR
Masse
| Eigenschaften verfügbar |
| Biologisch |
| Chemikalie |
| Dichte |
| Lipinski |
| Struktur verwandt |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 2,21 x 105 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,21 x 105 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,21 x 105 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,21 x 105 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,21 x 105 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,21 x 105 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,20 x 105 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,12 x 105 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1,54 x 105 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 42500 | pH 10; Temperatur: 25 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Chemikalie
| Eigentum | Wert | Zustand | Quelle |
| Koc | 2,33 x 105 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 2,33 x 105 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 2,33 x 105 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 2,33 x 105 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 2,33 x 105 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 2,33 x 105 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Koc | 2,32 x 105 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Koc | 2,23 x 105 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1,62 x 105 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 44800 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.32 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.18 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.62 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 7,334 ± 0,643 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 3,5 x 10-5 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-5 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-5 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-5 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-5 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-5 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-5 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-5 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,6 x 10-5 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 5,0 x 10-5 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,9 x 10-4 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-5 g/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 5,3 x 10-8 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-8 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-8 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-8 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-8 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 5,3 x 10-8 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-8 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-8 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,5 x 10-8 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 7,6 x 10-8 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,8 x 10-7 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-8 mol/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 660.83 | ||
| PKA | 9,39 ± 0,10 | Säurigste Temperatur: 25 ° C | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Dichte
| Eigentum | Wert | Zustand | Quelle |
| Dichte | 1,24 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
| Molvolumen | 528,8 ± 5,0 cm3/mol | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Lipinski
| Eigentum | Wert | Zustand | Quelle |
| Frei rotierbare Bindungen | 13 | (1) ACD | |
| H Akzeptoren | 10 | (1) ACD | |
| H Spender | 2 | (1) ACD | |
| H Spender/Akzeptorsum | 12 | (1) ACD | |
| logp | 7,334 ± 0,643 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 660.83 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Polare Oberfläche | 116 A2 | (1) ACD | |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13c nmr
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