C13H19N5O6 guanosine, 2 ′ -O- (2-methoxyethyl)-(9ci, ACI)
Nomor Registri CAS
473278-54-5
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 341.32 | - |
| Titik didih (diprediksi) | 715.0 ± 70.0 ° C. | Tekan: 760 Torr |
| Kepadatan (diprediksi) | 1,81 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 13.20 ± 0,70 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
O = c1n = c (n) nc2 = c1n = cn2c3oc (co) c (o) c3occoc
Senyum isomer
O (ccoc) [c@h] 1 [c @@ h] (o [c@h] (co) [c@h] 1o) n2c3 = c (n = c2) c (= o) n = c (n) n3
Inci
InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13(14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-, 8-, 9-, 12-/m1/s1
Kunci Inchi
Dllbjslikokfhee-woukdfqisa-n
1 nama lain untuk zat ini
2 ′ -O-(2-metoksietil) guanosin (ACI)
Properti tersedia
Optik dan hamburan
Panas
| Milik | Nilai | Kondisi | Sumber |
| Daya rotasi optik | -51 deg-ml/g-dm | C: 1.4 g/100ml; Solvent: Dichloromethane; λ: 589.3 nm; Temp: 25 ° C. | (1) Cas |
| Daya rotasi optik | Lihat teks lengkap | (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
| Milik | Nilai | Sumber Kondisi |
| Titik lebur | Lihat teks lengkap | (1) Cas |
(1) Taj, Shabbir Ali S.; Nukleosida, Nukleotida & Asam Nukleat, (2008), 27 (9), 1024-1033, Caplus
Spektrum tersedia
1 h nmr
13 C NMR
IR
Properti tersedia
Biologis
Kimia
Kepadatan
Lipinski
Terkait struktur
Panas
| 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 |
| Milik | Nilai | Kondisi | 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) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | 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 massal | 38 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan massal | 0,96 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,48 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,44 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,44 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,44 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,44 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,44 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,44 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,44 g/l | Air PH 7.20 yang tidak terikat; 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 PH 7.20 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 341.32 | ||
| PKA | 13.20 ± 0,70 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,00 ± 0,20 | Paling Basa Temp: 25 ° C | (1) ACD |
| Tekanan uap | 1,86 x 10-21 torr | Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,81 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 188.5 ± 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)
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 8 | (1) ACD | |
| H akseptor | 11 | (1) ACD | |
| H donor | 5 | (1) ACD | |
| H donor/jumlah akseptor | 16 | (1) ACD | |
| logp | -0,730 ± 0,568 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 341.32 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 153 A2 | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Titik didih | 715.0 ± 70.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi penguapan | 109,72 ± 3,0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik nyala | 386.2 ± 35.7 ° C. | (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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