C15H21N5O6 Guanosin, 2'-O-metil-N-(2-metil-1-oksopropil)- (9CI, ACI)
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 367.36 | - |
| Ketumpatan (Diramalkan) | 1.68±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 9.16±0.20 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical 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
InChI
InChI=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/j5-7,9-10,14,21- 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 Bahan ini
2'-O-Metil-N-(2-metil-1-oxopropyl)guanosine (ACI);N2-Isobutyryl-2′-O-metilguanosin
Spectra tersedia
1H NMR
13C NMR
Mass
| Hartanah tersedia |
| Biologi |
| 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)
kimia
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 2.12 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 12.5 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 0.55 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.5 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.84 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.59 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.55 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.55 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.55 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.55 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.59 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.96 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.55 g/L | Air Tidak Penampan pH 6.00; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 1.5 x 10-3 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 9.6 x 10-3 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.3 x 10-3 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.6 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 | 1.5 x 10-3 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 1.5 x 10-3 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.5 x 10-3 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.6 x 10-3 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.6 x 10-3 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.012 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.5 x 10-3 mol/L | Air Tidak Penampan pH 6.00; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 367.36 | ||
| pKa | 9.16±0.20 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | 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 | 1.68±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 217.6±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 | 6 | (1) ACD | |
| H Penerima | 11 | (1) ACD | |
| H Penderma | 4 | (1) ACD | |
| H Jumlah Penderma/Penerima | 15 | (1) ACD | |
| logP | -0.464±0.636 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 367.36 |
(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 | 147 A2 | (1) ACD | |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1H NMR
Spectra tersedia
13C NMR
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