C17H25N5O7 guanosine, 2'-o- (2-methoxyethyl) -n- (2-methyl-1-oxopropyl)-(9CI, A CI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 411.41 | - |
| Titik lebur (eksperimen) | 137-139.2 ° C. | - |
| Ketumpatan (diramalkan) | 1.60 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 8.68 ± 0.20 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC
Isomerik tersenyum o = c1c2 = c (n (c = n2) [c@h] 3 [c@h] (occoc) [c@h] (o) [c @@ h] (co) o3) nc (nc (c) c) = o) = n1
Inchi
Inchi = 1S/C17H25N5O7/C1-8 (2) 14 (25) 20-17-19-13-10 (15 (26) 21-17) 18-7-22 (13) 16-12 (28-5-4-27-3) 11 (24) 9 (6-23) 24h, 4-6H2,1-3H3, (H2,19,20,21,25,26)/T9-, 11-, 12-, 16-/m1/s1
Kunci Inchi
Izoogjiuochaay-ubedbupssa-n
1 nama lain untuk bahan ini
2'-o- (2-methoxyethyl) -n- (2-methyl-1-oxopropyl) guanosine (ACI)
| Hartanah tersedia |
| Haba |
Haba
| Harta | Nilai | Keadaan | Sumber |
| Titik lebur | 137-139.2 ° C. | (1) Cas | |
(1) Taj, Shabbir Ali S.; Nukleosida, nukleotida & asid nukleik, (2008), 27 (9), 1024-1033, Caplus
Spektrum tersedia
1H NMR
13C NMR
IR
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | 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 | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1.01 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 5.81 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 11.4 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 12.6 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 12.7 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 12.5 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 10.6 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 4.20 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -2.44 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -1.60 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.84 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.55 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.50 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.50 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.51 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.58 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.98 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.76 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.497 ± 0.633 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 0.58 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 49 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 7.0 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.2 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.62 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.58 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.58 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.58 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.70 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.7 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 10 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan Massa | 0.58 g/l | Air yang tidak disengajakan pH 5.98; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.4 x 10-3 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.12 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.017 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.0 x 10-3 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.5 x 10-3 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-3 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-3 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-3 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.7 x 10-3 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.2 x 10-3 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.025 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-3 mol/l | Air yang tidak disengajakan pH 5.98; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 411.41 | ||
| PKA | 8.68 ± 0.20 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 3.05 ± 0.20 | 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 | 1.60 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 256.2 ± 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 | 9 | (1) ACD | |
| H penerima | 12 | (1) ACD | |
| H penderma | 4 | (1) ACD | |
| H penderma/penerima jumlah | 16 | (1) ACD | |
| logp | -0.497 ± 0.633 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 411.41 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 157 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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