C17H25N5O7 Guanosine, 2′-O-(2-methoxyethyl)-N-(2-metil-1-oxopropyl)- (9CI, A CI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 411.41 | - |
| Titik Lebur (Eksperimental) | 137-139,2 °C | - |
| Kapadhetan (Prediksi) | 1,60±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 8.68±0.20 | Suhu Paling Asam: 25 °C |
SMILES Canonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomerik SMILES 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
IngChI
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/h7-9,11-12,16,23- 24H,4-6H2,1-3H3,(H2,19,20,21,25,26)/t9-,11-,12-,16-/m1/s1
Kunci Inchi
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Jeneng Liyane kanggo Zat iki
2′-O-(2-Methoxyethyl)-N-(2-methyl-1-oxopropyl)guanosine (ACI)
| Properti kasedhiya |
| Thermal |
Thermal
| Properti | Nilai | kahanan | Sumber |
| Titik Lebur | 137-139,2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Nukleosida, Nukleotida & Asam Nukleat, (2008), 27(9), 1024-1033, CAplus
Spectra kasedhiya
1H NMR
13C NMR
IR
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
biologi
| Properti | Nilai | kahanan | 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) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | 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 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 49 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 7,0 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,2 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,62 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,58 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,58 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,58 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,70 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 10 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan massa | 0,58 g/L | Banyu Unbuffered 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 | Banyu Unbuffered pH 5,98; Suhu: 25 °C | (1) ACD |
| Bobot 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) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,60±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 256,2±7,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi 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 |
| Bobot Molekul | 411.41 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 157 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
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![C44H49N5O7Si Adenosin, N-benzoil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′- O-[(1,1-dimetil)dimetilsilil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
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