C17H25N5O7 Guanosine, 2'-O-(2-metoksîetîl)-N-(2-methyl-1-oksopropil)- (9CI, A CI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 411.41 | - |
| Xala Helînê (Ezmûnî) | 137-139,2 °C | - |
| Density (Pêşbîn kirin) | 1,60±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 8,68±0,20 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
PÊŞÎNÊN ÎZOMERÎ 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
InChI Key
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Navê din ji bo vê madeyê
2'-O-(2-Metoksîetîl)-N-(2-methyl-1-oksopropil)guanozîn (ACI)
| Taybetmendiyên berdest |
| Termal |
Termal
| Mal | Giranî | Rewş | Kanî |
| Melting Point | 137-139,2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27 (9), 1024-1033, CAplus
Spectra heye
1H NMR
13C NMR
IR
| 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 | 1.0 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 5.81 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 12.5 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Germ: 25 °C | (1) ACD |
| logD | -2.44 | pH 1; Germ: 25 °C | (1) ACD |
| logD | -1.60 | pH 2; Germ: 25 °C | (1) ACD |
| logD | -0.84 | pH 3; Germ: 25 °C | (1) ACD |
| logD | -0.55 | pH 4; Germ: 25 °C | (1) ACD |
| logD | -0.50 | pH 5; Germ: 25 °C | (1) ACD |
| logD | -0.50 | pH 6; Germ: 25 °C | (1) ACD |
| logD | -0.51 | pH 7; Germ: 25 °C | (1) ACD |
| logD | -0.58 | pH 8; Germ: 25 °C | (1) ACD |
| logD | -0.98 | pH 9; Germ: 25 °C | (1) ACD |
| logD | -1,76 | pH 10; Germ: 25 °C | (1) ACD |
| logP | -0,497±0,633 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 0,58 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 49 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,0 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1.2 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,62 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,58 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,58 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,58 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,70 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 10 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya girseyî | 0,58 g/L | pH ava nebuffered 5,98; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,4 x 10-3 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,12 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,017 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,0 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 | 1,4 x 10-3 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-3 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-3 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,7 x 10-3 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,2 x 10-3 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,025 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-3 mol/L | pH ava nebuffered 5,98; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 411.41 | ||
| pKa | 8,68±0,20 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,05±0,20 | 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 | 1,60±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 256,2±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 | 9 | (1) ACD | |
| H Qebûrker | 12 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor / Qebûl Sum | 16 | (1) ACD | |
| logP | -0,497±0,633 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 411.41 |
(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 | 157 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
13C NMR
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