C15H21N5O6 Guanosine, 2'-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 367.36 | - |
| Density (Pêşbîn kirin) | 1,68±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 9,16±0,20 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
PÊŞÎNÊN Îzomerî O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[ C@H](CO)[C@H]1O
InChI
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/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7- ,9-,10-,14-/m1/s1
InChI Key
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Navên din ên vê madeyê
2′-O-Methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI);N2-Izobutirîl-2'-O-methylguanosine
Spectra heye
1H NMR
13C NMR
Gel
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 1.0 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 2.12 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 12.5 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Germ: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Germ: 25 °C | (1) ACD |
| logD | -0,65 | pH 2; Germ: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Germ: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Germ: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Germ: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Germ: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Germ: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Germ: 25 °C | (1) ACD |
| logD | -0,69 | pH 9; Germ: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Germ: 25 °C | (1) ACD |
| logP | -0,464±0,636 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 0,55 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,5 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,84 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,59 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,55 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,55 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,55 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,55 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,59 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,96 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,4 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,55 g/L | pH ava nebuffered 6,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,5 x 10-3 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 9,6 x 10-3 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-3 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-3 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,5 x 10-3 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,5 x 10-3 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 1,5 x 10-3 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,5 x 10-3 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-3 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,6 x 10-3 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,012 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,5 x 10-3 mol/L | pH ava nebuffered 6,00; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 367.36 | ||
| pKa | 9,16±0,20 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 1,73±0,10 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,68±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 217,6±7,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 6 | (1) ACD | |
| H Qebûrker | 11 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor / Qebûl Sum | 15 | (1) ACD | |
| logP | -0,464±0,636 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 367.36 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 147 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
Spectra heye
13C NMR
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