![C47H51FN7O7P Adenosine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2 '-fluoro-, 3'-[2-cyanoethyl N, N-bis (1-metiletil)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H51FN7O7P Adenosine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2 '-fluoro-, 3'-[2-cyanoethyl N, N-bis (1-methylethyl) phosphyl)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P Adenosine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2 '-fluoro-, 3'-[2-cyanoethyl N, N-bis (1-metiletil)
Nombor pendaftaran CAS
136834-22-5
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 875.92 | - |
| PKA (diramalkan) | 7.87 ± 0.43 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4)
Tersenyum isomerik
C (OC [c @@ h] 1 [c @@ h] (op (n (c) c) c (c) c) occc#n) [c @@ h] (f) [c @@ h] (o1) n2c = 3c (n = c2) (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
Inchi (60 (40-20 (60-27-43 (40-20-43 (40-20-430-3 ) 33-14-9-7-10-15-33) 28-59-47 (34-16-11-8-12-17-34,35-18-22-37 (57-5) 23-19-35) 36-20-24-38 (58-6) 2,46h, 13,27-28h2,1-6h3, (h, 50,51,53,56)/t39-, 40-, 42-, 46-, 63?/M1/s1
Kunci Inchi
Vccmvpdslhfcbb-msirfhfksa-n
1 nama lain untuk bahan ini
Adenosin,N-benzoyl -5 ' -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3 '-[2-cyanoethyl bis (1-methylethyl) phosphor] (9CI)
Hartanah tersedia
Biologi
Kimia
Lipinski
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 6590 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.76 x 105 | 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 | 3.43 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 99100 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Sumber Keadaan Nilai Harta |
| KOC 2590 pH 1; Temp: 25 ° C (1) ACD |
| KOC 69100 pH 2; Temp: 25 ° C (1) ACD |
| KOC 6.96 x 105 pH 3; Temp: 25 ° C (1) ACD |
| KOC 2.16 x 106 pH 4; Temp: 25 ° C (1) ACD |
| KOC 2.70 x 106 pH 5; Temp: 25 ° C (1) ACD |
| KOC 2.71 x 106 pH 6; Temp: 25 ° C (1) ACD |
| KOC 2.23 x 106 pH 7; Temp: 25 ° C (1) ACD |
| KOC 8.20 x 105 pH 8; Temp: 25 ° C (1) ACD |
| KOC 1.35 x 105 pH 9; Temp: 25 ° C (1) ACD |
| KOC 39000 pH 10; Temp: 25 ° C (1) ACD |
| logd 6.29 pH 1; Temp: 25 ° C (1) ACD |
| logd 7.71 pH 2; Temp: 25 ° C (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| logd | 8.71 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 9.20 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 9.30 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 9.30 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 9.22 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 8.79 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 8.00 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 7.46 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 9.317 ± 0.714 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 3.4 x 10-6 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.6 x 10-3 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.3 x 10-6 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.4 x 10-6 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.4 x 10-6 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.1 x 10-6 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.1 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 6.9 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.5 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.1 x 10-6 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 3.9 x 10-9 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.1 x 10-6 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.5 x 10-7 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.5 x 10-8 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.9 x 10-9 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.9 x 10-9 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.9 x 10-9 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.7 x 10-9 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-8 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 7.9 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 |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 4.7 x 10-9 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 875.92 | ||
| PKA | 7.87 ± 0.43 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 3.45 ± 0.70 | Tempatan paling asas: 25 ° C | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 18 | (1) ACD | |
| H penerima | 14 | (1) ACD | |
| H penderma | 1 | (1) ACD | |
| H penderma/penerima jumlah | 15 | (1) ACD | |
| logp | 9.317 ± 0.714 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 875.92 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Kawasan permukaan kutub | 169 A2 | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
![C41H51N5O8SI guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1- dimetiletil) dimetilsilyl] -n- (2-methyl-1-oxopropyl)-(9CI, ACI)](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)
![C45H56N7O9P guanosine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-metil- n- (2-methyl-1-oxopropyl)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C17H19N3O6 thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C31H32N2O8 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9c I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.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-300x300.jpg)
![C44H53FN7O8 guanosine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -deoxy-2 '-fluoro-n- (2-methyl-1-oxopropyl)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)