C15H21N5O6 guanosine, 2′-O-metil-N- (2-metil-1-oxopropyl)-(9ci, ACI)
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 367.36 | - |
| Kepadatan (diprediksi) | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 9,16 ± 0,20 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (CO) C (O) C3oc
Senyum isomerik 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
Inci
Inci = 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 nama lain untuk zat ini
2′-O-Methyl-N-(2-metil-1-oxopropyl) guanosine (ACI);N2-isobutyryl-2′-O-methylguanosine
Spektrum tersedia
1H nmr
13C NMR
Massa
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait struktur |
Biologis
| Milik | Nilai | Kondisi | 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) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kimia
| Milik | Nilai | Kondisi | 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 |
| Milik | Nilai | Kondisi | 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 massal | 3.5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,84 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,59 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,55 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,55 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,55 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,55 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,59 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,96 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,55 g/l | Air PH 6.00 yang tidak terikat; 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 |
| Milik | Nilai | Kondisi | 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 | Air PH 6.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 367.36 | ||
| PKA | 9,16 ± 0,20 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 1,73 ± 0,10 | Paling Basa Temp: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 217,6 ± 7,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 6 | (1) ACD | |
| H akseptor | 11 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H donor/jumlah akseptor | 15 | (1) ACD | |
| logp | -0,464 ± 0,636 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 367.36 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Area Permukaan Kutub | 147 A2 | (1) ACD | |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
Spektrum tersedia
13C NMR
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