C15H21N5O6 guanosine, 2'-O-methyl-n- (2-methyl-1-oxopropyl)-(9CI, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 367.36 | - |
| Ketumpatan (diramalkan) | 1.68 ± 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 (CO) C (O) C3OC
Isomerik Smiles O (C) [C@H] 1 [C@H] (N2C3 = C (N = C2) C (= O) N = C (NC (C) C) = O) N3) O [C@H] (C@H] 1O
Inchi
Inchi = 1s/c15h21n5o6/c1-6 (2) 12 (23) 18-15-17-11-8 (13 (24) 19-15) 16-5-20 (11) 14-10 (25-3) 9 (22) 7 (4-21) 26-14/h5-7,9-10,21- 22H, 4H2,1-3H3, (H2,17,18,19,23,24)/T7-, 9-, 10-, 14-/m1/s1
Kunci Inchi
Rpulcyxeyodqog-akaijsegsa-n
2 nama lain untuk bahan ini
2'-O-Metil-N-(2-methyl-1-oxopropyl) guanosine (ACI);N2-isobutyryl-2'-O-Methylguanosine
Spektrum tersedia
1H NMR
13C NMR
Massa
| 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 | 2.12 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 8.67 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 12.6 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 13.3 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 13.3 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 13.3 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 13.2 | pH 7; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 12.5 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 7.85 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1.76 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -1.26 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.65 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.49 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.47 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.46 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.46 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.47 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.49 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.69 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.34 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.464 ± 0.636 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 0.55 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.84 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.59 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.55 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.55 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.55 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.55 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.59 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.96 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.55 g/l | PH 6.00 air yang tidak disengajakan; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.5 x 10-3 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 9.6 x 10-3 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-3 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.6 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 | 1.5 x 10-3 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 1.5 x 10-3 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.5 x 10-3 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.6 x 10-3 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.6 x 10-3 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.012 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.5 x 10-3 mol/l | PH 6.00 air yang tidak disengajakan; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 367.36 | ||
| 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 | 1.68 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 217.6 ± 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 | 6 | (1) ACD | |
| H penerima | 11 | (1) ACD | |
| H penderma | 4 | (1) ACD | |
| H penderma/penerima jumlah | 15 | (1) ACD | |
| logp | -0.464 ± 0.636 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 367.36 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 147 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
Spektrum tersedia
13C NMR
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