![C44H49N5O7SI adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-[(1,1-dimetiletil) dimethylsilyl]-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H49N5O7SI adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- o-[(1,1-dimetiletil) dimetilsilyl]-(9ci, ali)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7SI adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-[(1,1-dimetiletil) dimethylsilyl]-(9CI, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 787.98 | - |
| Ketumpatan (diramalkan) | 1.23 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 7.87 ± 0.43 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik
O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC)
Tersenyum isomerik
C (OC [C@H] 1O [C@H] ([C@H] (O [Si] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C = 3C (N = C2) = C (n C (= O) C4 = CC = CC = C4) n = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
Inchi = 1S/C44H49N5O7SI/C1-43 (2,3) 57 (6,7) 56-38-37 (50) 35 (55-42 (38) 49-28-47-36-39 (45-27-46) 9) 26-54-44 (30-16-12-9-13-17-30,31-18-22-33 (52-4) 23-
45,46,48,51)/T35-, 37-, 38-, 42-/m1/s1
Kunci Inchi
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 nama lain untuk bahan ini
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1-dimetiletil) dimetilsilyl] adenosine (ACI); N6-Benzoyl-5'-O- (4,4'- Dimethoxytrityl) -2'-o- (tert-butyldimethylsilyl) adenosine
Spektrum tersedia
1H NMR
Hetero NMR
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 5.41 x 105 | 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 | 2.01 x 106 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 6.87 x 106 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 9.08 x 106 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 9.38 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 9.39 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 9.19 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 7.53 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 2.73 x 106 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 4.48 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1.31 x 105 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 9.62 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 10.15 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 10.27 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 10.29 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 10.29 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 10.28 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 10.19 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 9.75 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 8.97 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 8.43 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 10.291 ± 0.708 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1.1 x 10-6 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.8 x 10-6 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 x 10-6 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.1 x 10-6 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.0 x 10-6 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.0 x 10-6 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.0 x 10-6 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-6 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-6 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.2 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 7.6 x 10-5 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-6 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.4 x 10-9 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.1 x 10-9 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-9 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-9 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-9 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-9 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 1.3 x 10-9 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.6 x 10-9 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.5 x 10-9 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.8 x 10-8 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 9.6 x 10-8 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.6 x 10-9 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 787.98 | ||
| PKA | 7.87 ± 0.43 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 1.39 ± 0.10 | Tempatan paling asas: 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 | 1.23 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 639.5 ± 7.0 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 | 14 | (1) ACD | |
| H penerima | 12 | (1) ACD | |
| H penderma | 2 | (1) ACD | |
| H penderma/penerima jumlah | 14 | (1) ACD | |
| logp | 10.291 ± 0.708 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 787.98 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 139 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
![C36H39N5O8 guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- n- (2-methyl-1-oxopropyl)-(9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C40H49N4O9p uridine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-metil-, 3 '-[2-cyanoethyl n, n-bis (1-methylethyl) phosphoramidite]](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C21H21N3O6 thymidine, α- [(1-naphthalenylmethyl) amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C30H30N2O8 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl]-(9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)