C11H15N5O5 Guanosin, 2′ -O-metil- (7CI, 8CI, 9CI, ACI)
Nomer Registry CAS
2140-71-8
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 297.27 | - |
| Titik Lebur (Eksperimental) | 233-235 °C | Solvent: Metanol |
| Kapadhetan (Prediksi) | 1,98±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 9.64±0.20 | Suhu Paling Asam: 25 °C |
SMILES kanonik
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomerik SMILES
O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(N)N3)O[C@H](CO)[C@H ] 1 O
IngChI
InChI= 1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9( 5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19) /t4-,6-,7-,10-/m1/s1
Kunci Inchi
OVYNGSFVYRPRCG-KQYNXXCUSA-N
1 Jeneng Liyane kanggo Zat iki
2'-O- Methylguanosine (ACI)
Properti kasedhiya
Kimia
Thermal
| Properti | Kondisi Nilai | Sumber |
| pKa | 9.5 | (1) CAS |
(1) Bhamra, Inder; Riset Asam Nukleat,
| Properti | Nilai | kahanan | Sumber |
| Titik Lebur | 233-235 °C | Solvent: Metanol | (1) CAS |
(1) Kore, Anilkumar R.; Nukleosida, Nukleotida & Asam Nukleat,
Spectra kasedhiya
1 H NMR
13 C NMR
Massa
Properti kasedhiya
biologi
Kimia
Kapadhetan
Lipinski
Struktur Gegandhengan
| 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 |
| Properti | Nilai | kahanan | Sumber |
| 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)
| Properti | Nilai | kahanan | Sumber |
| Koc | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 1.19 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 3.42 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 4.23 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 4.33 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 4.34 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 4.33 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 4.24 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 3.48 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1.28 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -2.76 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -1.92 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -1.46 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | -1.37 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | -1.36 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | -1.36 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -1.36 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -1.37 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -1.45 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -1.89 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | -1,359±0,544 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 1,1 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 27 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,9 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan massa | 1,1 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,6 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 g/L | Banyu Unbuffered pH 6,17; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 3,6 x 10-3 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,091 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,013 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,6 x 10-3 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,7 x 10-3 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,7 x 10-3 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,6 x 10-3 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,7 x 10-3 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,7 x 10-3 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,5 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 | 3,6 x 10-3 mol/L | Banyu Unbuffered pH 6,17; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 297.27 | ||
| pKa | 9.64±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 2.42±0.10 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,98±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 149,8±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)
| Properti | Nilai | Sumber Kondisi |
| Obligasi sing bisa diputer kanthi bebas | 5 | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| H. Akseptor | 10 | (1) ACD | |
| H. Donor | 5 | (1) ACD | |
| H Jumlah Donor / Akseptor | 15 | (1) ACD | |
| logP | -1,359±0,544 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 297.27 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | Sumber Kondisi |
| Area lumahing kutub | 144 A2 | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1 H NMR
13 C NMR
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