C17H25N5O7 Guanosin, 2′-O-(2-metoksietil)-N-(2-metil-1-oksopropil)- (9CI, A CI)
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 411.41 | - |
| Titik Leleh (Eksperimental) | 137-139.2 °C | - |
| Kepadatan (Diprediksi) | 1,60±0,1 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr |
| pKa (Diprediksi) | 8,68±0,20 | Suhu Paling Asam: 25 °C |
SENYUM Kanonis O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
SENYUM Isomer 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
Di ChI
InciChi=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- 24Jam,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 Zat ini
2′-O-(2-Metoksietil)-N-(2-metil-1-oksopropil)guanosin (ACI)
| Properti tersedia |
| Panas |
Panas
| Milik | Nilai | Kondisi | Sumber |
| Titik lebur | 137-139.2 °C | (1) Kasus | |
(1) Taj, Shabbir Ali S.; Nukleosida, Nukleotida & Asam Nukleat, (2008), 27(9), 1024-1033, CAplus
Spektrum tersedia
1 jam NMR
13C NMR
IR
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait Struktur |
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 Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Milik | Nilai | Kondisi | 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 |
| Kelarutan Intrinsik Massa | 0,58 gram/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 49 gram/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 7,0 gram/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,2 gram/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,62 gram/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,58 gram/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,58 gram/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,58 gram/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,70 gram/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,7 gram/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 10 gram/L | pH 10; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Massa | 0,58 gram/L | Air Tanpa Buffer pH 5,98; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,4 x 10-3 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 0,12 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 0,017 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,0 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 | 1,4 x 10-3 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,4 x 10-3 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,4 x 10-3 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,7 x 10-3 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 4,2 x 10-3 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 0,025 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,4 x 10-3 mol/L | Air Tanpa Buffer pH 5,98; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 411.41 | ||
| pKa | 8,68±0,20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3,05±0,20 | 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
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,60±0,1 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
| Volume Molar | 256,2±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
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 9 | (1) ACD | |
| H Akseptor | 12 | (1) ACD | |
| H Donor | 4 | (1) ACD | |
| H Jumlah Donor/Akseptor | 16 | (1) ACD | |
| logP | -0,497±0,633 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 411.41 |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Terkait Struktur
| Milik | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 157 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
13C NMR
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