C17H25N5O7 Guanosine, 2′-O- (2-methoxyethyl)-N-(2-methyl-1-oxopropyl)- (9CI, A CI)
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 411.41 | - |
Meesha dhalaalaysa (Tijaabo) | 137-139.2 °C | - |
Cufnaanta (La saadaaliyay) | 1.60±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
pKa (La saadaaliyay) | 8.68± 0.20 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeric 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
InChi
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
Furaha InChi
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Magaca kale ee walaxdan
2′-O-(2-Methoxyethyl)-N-(2-methyl-1-oxopropyl) guanosine (ACI)
Guryaha la heli karo |
Kulul |
Kulul
Hanti | Qiimaha | Xaalad | Xigasho |
Meesha dhalaalaysa | 137-139.2 °C | (1) CAS |
(1) Taaj, Shabbir Cali S.; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27(9), 1024-1033, CAplus
Spectra waa la heli karaa
1H NMR
13C NMR
IR
Guryaha la heli karo |
Nafley |
Kiimiko |
Cufnaanta |
Lipinski |
Qaab-dhismeedka La Xiriira |
Nafley
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 1.01 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 5.81 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 11.4 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 12.6 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 12.7 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 12.5 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 10.6 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 4.20 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 1.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | -2.44 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | -1.60 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | -0.84 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | -0.55 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | -0.50 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | -0.50 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | -0.51 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | -0.58 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | -0.98 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | -1.76 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | -0.497±0.633 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 0.58 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 49 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 7.0 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.2 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.62 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.58 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.58 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.58 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.70 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.7 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 10 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Xalka tirada badan | 0.58 g/L | Biyaha aan la daboolin pH 5.98; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 1.4 x 10-3 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.12 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.017 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.0 x 10-3 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.5 x 10-3 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-3 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-3 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-3 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.7 x 10-3 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.2 x 10-3 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.025 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-3 mol/L | Biyaha aan la daboolin pH 5.98; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 411.41 | ||
pKa | 8.68± 0.20 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | 3.05 ± 0.20 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
Hanti | Qiimaha | Xaalad | Xigasho |
Cufnaanta | 1.60±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 256.2 ± 7.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 9 | (1) ACD | |
H Aqbalayaasha | 12 | (1) ACD | |
H Deeq-bixiyayaasha | 4 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 16 | (1) ACD | |
logP | -0.497±0.633 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 411.41 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Aagga dusha sare ee Polar | 157 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR