C13H19N5O6 Guanosine, 2 '-O-(2-metoksîetîl)- (9CI, ACI)
Hejmara qeydê ya CAS
473278-54-5
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 341.32 | - |
| Xala kelandinê (pêşbînîkirî) | 715,0±70,0 °C | Çapemenî: 760 Torr |
| Density (Pêşbîn kirin) | 1,81±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 13,20±0,70 | Germahiya herî asîdî: 25 °C |
SMILES Canonical
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
SMILES Îzomerî
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N)N3
InChI
InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13( 14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-,8-,9- ,12-/m1/s1
InChI Key
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Navê din ji bo vê madeyê
2' -O-(2-Metoksîetîl)guanozîn (ACI)
Taybetmendiyên berdest
Optîk û Belavkirin
Termal
| Mal | Giranî | Rewş | Kanî |
| Hêza Rotatory Optîk | -51 deg-mL/g-dm | c: 1,4 g/100ml;Solvent: Dichloromethane;λ: 589,3 nm;Germ: 25 °C | (1) CAS |
| Hêza Rotatory Optîk | Binêre Nivîsa Temam | (2) CAS |
(1) Wen, Ke;Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, CAplus
(2) Wen, Ke;Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, CAplus
| Mal | Giranî | Çavkaniya Rewşa |
| Melting Point | Binêre Nivîsa Temam | (1) CAS |
(1) Taj, Shabbir Ali S.;Nucleosides, Nucleotides & Nucleic Acids, (2008), 27 (9), 1024-1033, CAplus
Spectra heye
1 H NMR
13 C NMR
IR
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Density
Lipinski
Structure Related
Termal
| 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 |
| Mal | Giranî | Rewş | Kanî |
| 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
| Mal | Giranî | Rewş | Kanî |
| Koc | 1.0 | pH 1;Germ: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2;Germ: 25 °C | (1) ACD |
| Koc | 4.27 | pH 3;Germ: 25 °C | (1) ACD |
| Koc | 8.49 | pH 4;Germ: 25 °C | (1) ACD |
| Koc | 9.43 | pH 5;Germ: 25 °C | (1) ACD |
| Koc | 9.54 | pH 6;Germ: 25 °C | (1) ACD |
| Koc | 9.55 | pH 7;Germ: 25 °C | (1) ACD |
| Koc | 9.55 | pH 8;Germ: 25 °C | (1) ACD |
| Koc | 9.55 | pH 9;Germ: 25 °C | (1) ACD |
| Koc | 9.54 | pH 10;Germ: 25 °C | (1) ACD |
| logD | -2.65 | pH 1;Germ: 25 °C | (1) ACD |
| logD | -1.84 | pH 2;Germ: 25 °C | (1) ACD |
| logD | -1.08 | pH 3;Germ: 25 °C | (1) ACD |
| logD | -0.78 | pH 4;Germ: 25 °C | (1) ACD |
| logD | -0.74 | pH 5;Germ: 25 °C | (1) ACD |
| logD | -0.73 | pH 6;Germ: 25 °C | (1) ACD |
| logD | -0.73 | pH 7;Germ: 25 °C | (1) ACD |
| logD | -0.73 | pH 8;Germ: 25 °C | (1) ACD |
| logD | -0.73 | pH 9;Germ: 25 °C | (1) ACD |
| logD | -0.73 | pH 10;Germ: 25 °C | (1) ACD |
| logP | -0,730±0,568 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 0,44 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 38 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,5 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya girseyî | 0,96 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,48 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,44 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,44 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,44 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,44 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,44 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,44 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,44 g/L | pH ava nebuffered 7,20;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,3 x 10-3 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,11 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,016 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,8 x 10-3 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-3 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-3 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-3 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-3 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-3 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-3 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-3 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-3 mol/L | pH ava nebuffered 7,20;Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 341.32 | ||
| pKa | 13,20±0,70 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,00±0,20 | Germahiya herî bingehîn: 25 °C | (1) ACD |
| Vapor Pressure | 1,86 x 10-21 Torr | Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Density | 1,81±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 188,5±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
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 8 | (1) ACD | |
| H Qebûrker | 11 | (1) ACD | |
| H Donors | 5 | (1) ACD | |
| H Donor / Qebûl Sum | 16 | (1) ACD | |
| logP | -0,730±0,568 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 341.32 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Çavkaniya şertê |
| Qada Rûyê Polar | 153 A2 | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Xala kelandinê | 715,0±70,0 °C | Çapemenî: 760 Torr | (1) ACD |
| Entalpiya Vaporîzasyonê | 109,72±3,0 kJ/mol | Çapemenî: 760 Torr | (1) ACD |
| Flash Point | 386,2±35,7 °C | (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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