C15H21N5O6 Guanosine, 2′-O-metil-N-(2-metil-1-oksopropil)- (9CI, ACI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 367.36 | - |
| Kapadhetan (Prediksi) | 1,68±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 9.16±0.20 | Suhu Paling Asam: 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)C)=O)N3)O[ C@H](CO)[C@H]1O
IngChI
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/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
Kunci Inchi
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Jeneng Liyane kanggo Zat iki
2'-O-Metil-N-(2-methyl-1-oxopropyl)guanosine (ACI);N2-Isobutiril-2′-O- metilguanosin
Spectra kasedhiya
1H NMR
13C NMR
Massa
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
biologi
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | Sumber |
| Koc | 2.12 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Koc | 12.5 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | -0,464±0,636 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 0,55 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,84 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,59 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,55 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,55 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,55 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,55 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,59 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,96 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,55 g/L | Banyu Unbuffered pH 6,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,5 x 10-3 mol / L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 9,6 x 10-3 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,3 x 10-3 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,6 x 10-3 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,5 x 10-3 mol / L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,5 x 10-3 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 1,5 x 10-3 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,5 x 10-3 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,6 x 10-3 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,6 x 10-3 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,012 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,5 x 10-3 mol / L | Banyu Unbuffered pH 6,00; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 367.36 | ||
| pKa | 9.16±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,68±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 217,6±7,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 6 | (1) ACD | |
| H. Akseptor | 11 | (1) ACD | |
| H. Donor | 4 | (1) ACD | |
| H Jumlah Donor / Akseptor | 15 | (1) ACD | |
| logP | -0,464±0,636 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 367.36 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 147 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
Spectra kasedhiya
13C NMR
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