C17H25N5O7 guanosine, 2′-o- (2-methoxyethyl) -n- (2-metil-1-oxopropyl)-(9ci, ci)
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 411.41 | - |
| Leluh Titik (Eksperimental) | 137-139.2 ° C. | - |
| Kepadatan (diprediksi) | 1,60 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 8,68 ± 0,20 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC
Senyum isomerik O = C1C2 = C (n (c = n2) [c@h] 3 [c@h] (occoc) [c@h] (o) [c @@ h] (co) o3) nc (nc (c (c) c) = o) = n1
Inci
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) 29-16/H7-9-9.16-12.16.16.23- 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 zat ini
2′-o- (2-methoxyethyl) -n- (2-metil-1-oxopropyl) guanosine (ACI)
| Properti tersedia |
| Panas |
Panas
| Milik | Nilai | Kondisi | Sumber |
| Titik lebur | 137-139.2 ° C. | (1) Cas | |
(1) Taj, Shabbir Ali S.; Nukleosida, Nukleotida & Asam Nukleat, (2008), 27 (9), 1024-1033, Caplus
Spektrum tersedia
1H nmr
13C NMR
IR
| 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 | 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 massal | 49 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 7.0 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.2 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0.62 g/L. | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,58 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,58 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,58 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,70 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.7 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 10 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan massal | 0,58 g/l | Air PH 5.98 yang tidak terikat; 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 PH 5.98 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 411.41 | ||
| PKA | 8,68 ± 0,20 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,05 ± 0,20 | 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 | 1,60 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 256.2 ± 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 | 9 | (1) ACD | |
| H akseptor | 12 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H donor/jumlah akseptor | 16 | (1) ACD | |
| logp | -0.497 ± 0,633 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 411.41 |
(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 | 157 A2 | (1) ACD | |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
13C NMR
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