C15H21N5O6 Guanosin, 2′-O-metil-N-(2-metil-1-oksopropil)- (9CI, ACI)
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 367.36 | - |
| Kepadatan (Diprediksi) | 1,68±0,1 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr |
| pKa (Diprediksi) | 9,16±0,20 | Suhu Paling Asam: 25 °C |
SENYUM Kanonik 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
Di Cina
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/h5-7,9-10,14,21-22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
Kunci InChI
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Nama Lain untuk Zat Ini
2′-O-Metil-N-(2-metil-1-oksopropil)guanosin (ACI);N2-Isobutyryl-2′-O-metilguanosin
Spektrum tersedia
1H NMR
NMR 13C
Massa
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Struktur Terkait |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Milik | Nilai | Kondisi | 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 |
| Milik | Nilai | Kondisi | 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 |
| catatan D | -1.26 | pH 1; Suhu: 25 °C | (1) ACD |
| catatan D | -0,65 | pH 2; Suhu: 25 °C | (1) ACD |
| catatan D | -0,49 | pH 3; Suhu: 25 °C | (1) ACD |
| catatan D | -0,47 | pH 4; Suhu: 25 °C | (1) ACD |
| catatan D | -0,46 | pH 5; Suhu: 25 °C | (1) ACD |
| catatan D | -0,46 | pH 6; Suhu: 25 °C | (1) ACD |
| catatan D | -0,47 | pH 7; Suhu: 25 °C | (1) ACD |
| catatan D | -0,49 | pH 8; Suhu: 25 °C | (1) ACD |
| catatan D | -0,69 | pH 9; Suhu: 25 °C | (1) ACD |
| catatan D | -1,34 | pH 10; Suhu: 25 °C | (1) ACD |
| catatan P | -0,464±0,636 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 0,55 gram/liter | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,5 gram/liter | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,84 gram/liter | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,59 gram/liter | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/liter | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/liter | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/liter | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/liter | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,59 gram/liter | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,96 gram/liter | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,4 gram/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/liter | Air Tanpa Penyangga pH 6,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,5 x 10-3 mol/liter | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 9,6 x 10-3 mol/liter | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-3 mol/liter | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,6 x 10-3 mol/liter | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,5 x 10-3 mol/liter | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,5 x 10-3 mol/liter | pH 5; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 1,5 x 10-3 mol/liter | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,5 x 10-3 mol/liter | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,6 x 10-3 mol/liter | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,6 x 10-3 mol/liter | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 0,012 mol/liter | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,5 x 10-3 mol/liter | Air Tanpa Penyangga pH 6,00; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 367.36 | ||
| pKa | 9,16±0,20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 1,73±0,10 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,68±0,1 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
| Volume Molar | 217,6±7,0 cm3/mol | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 6 | (1) ACD | |
| Akseptor H | 11 | (1) ACD | |
| Donor H | 4 | (1) ACD | |
| H Jumlah Donor/Akseptor | 15 | (1) ACD | |
| catatan P | -0,464±0,636 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 367.36 |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Terkait
| Milik | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 147 Halaman A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
Spektrum tersedia
NMR 13C
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