C13H19N5O6 guanosine, 2 '-O- (2-methoxyethyl)-(9CI, ACI)
Nombor pendaftaran CAS
473278-54-5
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 341.32 | - |
| Titik mendidih (diramalkan) | 715.0 ± 70.0 ° C. | Tekan: 760 Torr |
| Ketumpatan (diramalkan) | 1.81 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 13.20 ± 0.70 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik
O = C1N = C (N) NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC
Tersenyum isomerik
O (ccoc) [c@h] 1 [c @@ h] (o [c@h] (co) [c@h] 1o) n2c3 = c (n = c2) c (= o) n = c (n) n3
Inchi
Inchi = 1S/C13H19N5O6/C1-22-2-3-23-9-8-8 (20) 6 (4-19) 24-12 (9) 18-5-15-7-10 (18) 16-13 (14) 17-11 (7) 21/H5-6,8-9. 14,16,17,21)/t6-, 8-, 9-, 12-/m1/s1
Kunci Inchi
Dllbjslikokfhe-woukdfqisa-n
1 nama lain untuk bahan ini
2 ' -O-(2-methoxyethyl) guanosine (ACI)
Hartanah tersedia
Optik dan penyebaran
Haba
| Harta | Nilai | Keadaan | Sumber |
| Kuasa rotator optik | -51 DEG-ML/G-DM | C: 1.4 g/100ml; Pelarut: dichloromethane; λ: 589.3 nm; Temp: 25 ° C. | (1) Cas |
| Kuasa rotator optik | Lihat teks penuh | (2) Cas |
(1) Wen, Ke; Jurnal Kimia Organik, (2002), 67 (22), 7887-7889, Caplus
(2) Wen, Ke; Jurnal Kimia Organik, (2002), 67 (22), 7887-7889, Caplus
| Harta | Nilai | Sumber keadaan |
| Titik lebur | Lihat teks penuh | (1) Cas |
(1) Taj, Shabbir Ali S.; Nukleosida, nukleotida & asid nukleik, (2008), 27 (9), 1024-1033, Caplus
Spektrum tersedia
1 h nmr
13 C NMR
IR
Hartanah tersedia
Biologi
Kimia
Ketumpatan
Lipinski
Struktur berkaitan
Haba
| 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 |
| Harta | Nilai | Keadaan | Sumber |
| 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)
| Harta | Nilai | Keadaan | Sumber |
| KOC | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 4.27 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 8.49 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 9.43 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 9.54 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 9.55 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 9.55 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 9.55 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 9.54 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -2.65 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -1.84 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -1.08 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.78 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.74 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.730 ± 0.568 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 0.44 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 38 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan Massa | 0.96 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.48 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.44 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.44 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.44 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.44 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.44 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.44 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.44 g/l | Air yang tidak disengajakan pH 7.20; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.3 x 10-3 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.11 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.016 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.8 x 10-3 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-3 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-3 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-3 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-3 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-3 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-3 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-3 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-3 mol/l | Air yang tidak disengajakan pH 7.20; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 341.32 | ||
| PKA | 13.20 ± 0.70 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 3.00 ± 0.20 | Tempatan paling asas: 25 ° C | (1) ACD |
| Tekanan wap | 1.86 x 10-21 Torr | Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.81 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 188.5 ± 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)
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 8 | (1) ACD | |
| H penerima | 11 | (1) ACD | |
| H penderma | 5 | (1) ACD | |
| H penderma/penerima jumlah | 16 | (1) ACD | |
| logp | -0.730 ± 0.568 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 341.32 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Kawasan permukaan kutub | 153 a2 | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Titik mendidih | 715.0 ± 70.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi pengewapan | 109.72 ± 3.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik kilat | 386.2 ± 35.7 ° C. | (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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