![118 RE36H44N2O8SI Uridin, 5′-O- [BIS (4-Methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl]-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 RE36H44N2O8SI Uridin, 5′-O- [BIS (4-Methoxyphenyl) phenylmethyl] -2′-O-[(1,1- dimethylethyl) dimethylsilyl]-(9ci, aci) featured billede](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 RE36H44N2O8SI Uridin, 5′-O- [BIS (4-Methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl]-(9CI, ACI)
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 660,83 | - |
| Densitet (forudsagt) | 1,24 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr |
| PKA (forudsagt) | 9,39 ± 0,10 | Mest sure temp: 25 ° C |
Kanoniske smil 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.
Isomere smil
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 = C = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = 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 (24-11-9-8-10-12-24,25-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13 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 Key
Kvhqielphwjpsy-wxqjyutrsa-n
2 andre navne på dette stof
5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridin (ACI); 2′-O-tert-butyldimethylsilyl-5′-O- (4,4′-dimethoxytrityyl) uridin
Spektre tilgængelige
1H NMR
13c NMR
Hetero NMR
Masse
| Tilgængelige egenskaber |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| 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) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Masse iboende opløselighed | 3,5 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,6 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,0 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 1,9 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/l | Ubuffet vand pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 5,3 x 10-8 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 5,3 x 10-8 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,5 x 10-8 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 7,6 x 10-8 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,8 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/l | Ubuffet vand pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 660,83 | ||
| PKA | 9,39 ± 0,10 | Mest sure temp: 25 ° C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Ejendom | Værdi | Tilstand | Kilde |
| Densitet | 1,24 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
| Molvolumen | 528,8 ± 5,0 cm3/mol | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 13 | (1) ACD | |
| H acceptorer | 10 | (1) ACD | |
| H donorer | 2 | (1) ACD | |
| H donor/acceptor sum | 12 | (1) ACD | |
| Logp | 7.334 ± 0,643 | Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 660,83 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polært overfladeareal | 116 A2 | (1) ACD | |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektre tilgængelige
1H NMR
13c NMR
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