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;Tekan: 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 Isomer O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[ C@H](BERSAMA)[C@H]1O
Di ChI
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 Zat ini
2′-O-Metil-N-(2-metil-1-oksopropil)guanosin (ACI);N2-Isobutiril-2′-O-metilguanosin
Spektrum tersedia
1 jam NMR
13C NMR
Massa
| Properti tersedia |
| Biologis |
| Bahan kimia |
| Kepadatan |
| Lipinski |
| Terkait Struktur |
Biologis
| Properti | 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 Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Bahan kimia
| Properti | 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 |
| Properti | 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 |
| 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 |
| Kelarutan Intrinsik Massa | 0,55 gram/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,5 gram/L | pH 1;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,84 gram/L | pH 2;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,59 gram/L | pH 3;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/L | pH 4;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/L | pH 5;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/L | pH 6;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,55 gram/L | pH 7;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,59 gram/L | pH 8;Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,96 gram/L | 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/L | Air Tanpa Buffer pH 6,00;Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,5 x 10-3 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 9,6 x 10-3 mol/L | pH 1;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-3 mol/L | pH 2;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,6 x 10-3 mol/L | pH 3;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,5 x 10-3 mol/L | pH 4;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,5 x 10-3 mol/L | pH 5;Suhu: 25 °C | (1) ACD |
| Properti | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 1,5 x 10-3 mol/L | pH 6;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,5 x 10-3 mol/L | pH 7;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,6 x 10-3 mol/L | pH 8;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,6 x 10-3 mol/L | pH 9;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 0,012 mol/L | pH 10;Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,5 x 10-3 mol/L | Air Tanpa Buffer 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 Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Properti | Nilai | Kondisi | Sumber |
| Kepadatan | 1,68±0,1 gram/cm3 | Suhu: 20 °C;Tekan: 760 Torr | (1) ACD |
| Volume Molar | 217,6±7,0 cm3/mol | Suhu: 20 °C;Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 6 | (1) ACD | |
| H Akseptor | 11 | (1) ACD | |
| H Donor | 4 | (1) ACD | |
| H Jumlah Donor/Akseptor | 15 | (1) ACD | |
| logP | -0,464±0,636 | Suhu: 25 °C | (1) ACD |
| Berat molekul | 367.36 |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Terkait Struktur
| Properti | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 147 A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 jam NMR
Spektrum tersedia
13C NMR
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