C17H25N5O7 guanosine, 2′-O- (2-metoxýetýl) -n- (2-metýl-1-oxopropyl)-(9ci, A CI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 411.41 | - |
| Bræðslumark (tilrauna) | 137-139,2 ° C. | - |
| Þéttleiki (spáð) | 1,60 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 8,68 ± 0,20 | Sýrtasta temp: 25 ° C |
Canonical bros O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC
Isomeric bros 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
Tommur
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/H7-9,112,16,23- 24H, 4-6H2,1-3H3, (H2,19,20,21,25,26)/T9-, 11-, 12-, 16-/m1/s1
Inchi lykill
Izoogjiuochaay-Ubedbupssa-n
1 annað nafn fyrir þetta efni
2′-O- (2-metoxýetýl) -n- (2-metýl-1-oxóprópýl) guanósín (ACI)
| Eignir í boði |
| Hitauppstreymi |
Hitauppstreymi
| Eign | Gildi | Ástand | Uppspretta |
| Bræðslumark | 137-139,2 ° C. | (1) Cas | |
(1) Taj, Shabbir Ali S.; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27 (9), 1024-1033, Capus
Litróf í boði
1H NMR
13c nmr
IR
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Efni
| Eign | Gildi | Ástand | Uppspretta |
| KOC | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1.01 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 5.81 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 11.4 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 12.6 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 12.7 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 12.5 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 10.6 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 4.20 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -2.44 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -1.60 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0,84 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | -0,55 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0,50 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0,50 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0,51 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0,58 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0,98 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.76 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0,497 ± 0,633 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 0,58 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 49 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 7,0 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,2 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,62 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,58 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,58 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,58 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,70 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,7 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 10 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Massa leysni | 0,58 g/l | Óbifað vatn pH 5,98; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 1,4 x 10-3 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 0,12 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 0,017 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 3,0 x 10-3 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,5 x 10-3 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,4 x 10-3 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,4 x 10-3 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,4 x 10-3 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,7 x 10-3 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,2 x 10-3 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 0,025 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,4 x 10-3 mól/l | Óbifað vatn pH 5,98; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 411.41 | ||
| PKA | 8,68 ± 0,20 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | 3,05 ± 0,20 | Grundvöllurinn: 25 ° C | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Þéttleiki
| Eign | Gildi | Ástand | Uppspretta |
| Þéttleiki | 1,60 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 256,2 ± 7,0 cm3/mól | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eign | Gildi | Ástand | Uppspretta |
| Frjálslega snúningsbönd | 9 | (1) ACD | |
| H samþykki | 12 | (1) ACD | |
| H styrktaraðilar | 4 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 16 | (1) ACD | |
| logp | -0,497 ± 0,633 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 411.41 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 157 A2 | (1) ACD | |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði
1H NMR
13c nmr
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