![C41H51N5O8SI guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1- dimetiletil) dimetilsilyl] -n- (2-methyl-1-oxopropyl)-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8SI guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-(1,1- dimetiletil) dimetilsilyl] -n- (2-methyl-1-oxopropyl)-](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8SI guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1- dimetiletil) dimetilsilyl] -n- (2-methyl-1-oxopropyl)-(9CI, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 769.96 | - |
| Ketumpatan (diramalkan) | 1.25 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 9.16 ± 0.20 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (C = 4C = CC = CC4)
Tersenyum isomerik
C (OC [C@H] 1O [C@H] ([C@H] (O [SI] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C3 = C (N = C2) C ( = O) n = c (nc (c (c) c) = o) n3) (c4 = cc = c (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1S/C41H51N5O8SI/C1-25 (2) 36 (48) 44-39-43-35-32 (37 (49) 45-39 ) 42-24-46 (35) 38-34 (54-55 (8,9) 40 (3,4) 5) 33 (47) 31 (53-38) 23-52-41 (2 6-13-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28/H10-22,24-25,31,33-34,47h,
48,49)/T31-, 33-, 34-, 38-/m1/s1
Kunci Inchi
Jmcnkjfoijgyrg-cjegosrcsa-n
1 nama lain untuk bahan ini
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1-dimethylethyl) dimetilsilyl] -n- (2-methyl-1-oxopropyl) guanosine (ACI)
Spektrum tersedia
1H NMR
13C NMR
Massa
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1.38 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3.53 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 4.18 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 4.26 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 4.26 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 4.26 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 4.21 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3.77 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.86 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 33800 | 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 | 1.21 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 3.08 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 3.65 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 3.72 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 3.73 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 3.72 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 3.68 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 3.30 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 1.62 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 29600 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 7.22 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.63 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.70 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.70 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 7.66 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.35 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.61 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.710 ± 0.709 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 2.7 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 8.5 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.3 x 10-5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.8 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.7 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.7 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.7 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.8 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.1 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 6.2 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.8 x 10-5 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 3.5 x 10-8 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.3 x 10-8 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.6 x 10-8 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.5 x 10-8 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.5 x 10-8 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 3.5 x 10-8 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.6 x 10-8 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.0 x 10-8 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.1 x 10-8 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.5 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.6 x 10-8 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 769.96 | ||
| PKA | 9.16 ± 0.20 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 1.73 ± 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 | 1.25 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 615.5 ± 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 | 13 | (1) ACD | |
| H penderma | 3 | (1) ACD | |
| H penderma/penerima jumlah | 16 | (1) ACD | |
| logp | 7.710 ± 0.709 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 769.96 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 155 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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