C17H25N5O7 Guanosine, 2'-O-(2-methoxyethyl)-N-(2-metil-1-oxopropyl)- (9CI, A CI)
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 411.41 | - |
| Takat Lebur (Eksperimen) | 137-139.2 °C | - |
| Ketumpatan (Diramalkan) | 1.60±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 8.68±0.20 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical 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
InChI
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/j7-9,11-12,16,23- 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 Bahan ini
2'-O-(2-Methoxyethyl)-N-(2-metil-1-oxopropyl)guanosine (ACI)
| Hartanah tersedia |
| terma |
terma
| Harta benda | Nilai | keadaan | Sumber |
| Takat Lebur | 137-139.2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Nukleosida, Nukleotida & Asid Nukleik, (2008), 27(9), 1024-1033, CAplus
Spektrum tersedia
1H NMR
13C NMR
IR
| Hartanah tersedia |
| Biologi |
| bahan kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
bahan kimia
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 5.81 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 12.5 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -2.44 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -1.60 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -0.84 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | -0.55 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | -0.50 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | -0.50 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -0.51 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -0.58 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -0.98 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -1.76 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | -0.497±0.633 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 0.58 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 49 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 7.0 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.2 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.62 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.58 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.58 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.58 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.70 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 10 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Jisim | 0.58 g/L | Air Tidak Penampan pH 5.98; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 1.4 x 10-3 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.12 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.017 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.0 x 10-3 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.5 x 10-3 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.4 x 10-3 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.4 x 10-3 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.4 x 10-3 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.7 x 10-3 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 4.2 x 10-3 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.025 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.4 x 10-3 mol/L | Air Tidak Penampan pH 5.98; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 411.41 | ||
| pKa | 8.68±0.20 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 3.05±0.20 | Suhu Paling Asas: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta benda | Nilai | keadaan | Sumber |
| Ketumpatan | 1.60±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 256.2±7.0 cm3/mol | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 9 | (1) ACD | |
| H Penerima | 12 | (1) ACD | |
| H Penderma | 4 | (1) ACD | |
| H Jumlah Penderma/Penerima | 16 | (1) ACD | |
| logP | -0.497±0.633 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 411.41 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Kawasan Permukaan Kutub | 157 A2 | (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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