![118 RE36H44N2O8SI uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1- dimetiletil) dimetilsilyl]-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 re36H44N2O8SI uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1- dimetiletil) dimetilsilyl]-(9ci, aci)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 RE36H44N2O8SI uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1- dimetiletil) dimetilsilyl]-(9CI, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 660.83 | - |
| Ketumpatan (diramalkan) | 1.24 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 9.39 ± 0.10 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical 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)
Tersenyum isomerik
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)
Inchi
InChi = 1S/1S/C36H44N2O8SI/C1-35 (2,3) 47-32-410-410-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44-44 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-
Kunci Inchi
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 nama lain untuk bahan ini
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1-dimetiletil) dimetilsilyl] uridine (ACI); 2'-o-tert-butyldimethylsilyl-5'-o- (4,4'- dimethoxytrityl) uridine
Spektrum tersedia
1H NMR
13C NMR
Hetero NMR
Massa
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2.21 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2.20 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2.12 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.54 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 42500 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Keadaan | Sumber |
| 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 |
| Harta | Nilai | Keadaan | Sumber |
| 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 |
| Kelarutan intrinsik massa | 3.5 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.0 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.9 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-5 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 5.3 x 10-8 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-8 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-8 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-8 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-8 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 5.3 x 10-8 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-8 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-8 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.5 x 10-8 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 7.6 x 10-8 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.8 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-8 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 660.83 | ||
| PKA | 9.39 ± 0.10 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.24 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 528.8 ± 5.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 13 | (1) ACD | |
| H penerima | 10 | (1) ACD | |
| H penderma | 2 | (1) ACD | |
| H penderma/penerima jumlah | 12 | (1) ACD | |
| logp | 7.334 ± 0.643 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 660.83 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 116 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
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![C30H28N2O7 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2-[bis (4-methoxy phenyl) methyl] (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
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![C44H49N5O7SI adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-[(1,1-dimetiletil) dimethylsilyl]-(9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
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