C9H11FNN2O5 Urras, 2 '-Doxy-2' -fluo- (7ci, 8ci, 9ci, ACI)
Àireamh Clàrs Cas
784-71-4
H228
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 246.19 | - |
| Puing leaghte (deuchainneach) | 149-150 ° C. | - |
| Dùmhlachd (ro-innse) | 1.63 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 9.39 ± 0.10 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
O = c1c = cn (c (= o) n1) c2oc (CO) c (o) c2f
Gàire isomicic
F [c @ h har [c @@] (o [C @) (C) [c @) N2c (= o) c = c2
Inchi
Inchi = 1s / c9h11fn2o5 / C10-6-7 (15-13 (6-2,12,6-, 7- / S1
Iuchair Inchi
Uiywwacksizeekj-xvfcremelasta-n
4 Ainmean eile airson an stuth seo
2 '-Doxy-2' -fluorourridine (ACI); 1- (2-deeoxy-2-2-fluoro- β -D-riburanyl) URIL; 2 '-fluo-2' -deoxyuliga; 2 '-fluoro-uridine
Togalaichean rim faighinn
Optigeach agus sgapadh
Thermal
| Seilbh | Luach | Suidheachadh | Stòr |
| Cumhachd rotactive optigeach | +52 deg | Fuasgladh: uisge; λ: 589.3 NM; Temp: 20 ° C. | (1) cas |
(1) Codington, John f.; Iris Comann Ceimigeach Ameireagaidh, (1961), 83, 5030-1, caperlus
| Seilbh | Luach | Stòr cumhachd |
| Puing leaghaidh | 149-150 ° C. | (1) IC |
| Puing leaghaidh | Faic an làn theacsa | (2) cas |
| Puing leaghaidh | Faic an làn theacsa | (3) IC |
(1) Mercer, Iain r.; Iris Ceimigeachd Leigheadaireachd, (1989), 32 (6), 1289-94, carperlus
(2) Codington, John f.; Iris Comann Ceimigeach Ameireagaidh, (1961), 83, 5030-1, caperlus
(3) bhan Adenchot, a .; Belgen des Shocletin Sociatail, (1989), 98 (12), 937-41, carperlus
Spectra ri fhaighinn
1 h nmr
13 c nmr
Hetero nmr
IR
Maise
Raman
Uv agus ri fhaicinn
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Dùmhlachd
Lipinski
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Koc | 12.1 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Koc | 11.6 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Koc | 8.45 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 2.33 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.56 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.70 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.25 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logp | -0.538 ± 0456 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 4.9 G / L | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.2 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 6.9 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 25 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Uisge neo-leasaichte pH 5.53; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 0.020 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.020 mol / l | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.020 mol / l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.020 mol / l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.020 mol / l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.020 mol / l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.020 mol / l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.020 mol / l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.021 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.028 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.10 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.020 mol / l | Uisge neo-leasaichte pH 5.53; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 246.19 | ||
| paka | 9.39 ± 0.10 | Temp as searbhagach: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Dùmhlachd | 1.63 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 150.8 ± 5.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 4 | (1) ACD | |
| Hrrairean | 7 | (1) ACD | |
| Hnors her | 3 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 10 | (1) ACD | |
| logp | -0.538 ± 0456 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 246.19 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Stòr cumhachd |
| Raon uachdar pòla | 99.1 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1 h nmr
13 c nmr
| Còd ath-aithris cunntaraidh | |
| H228 solid lasanta | Buidheann Ceimigeach Eòrpach (Echa) Seòrsachadh & Labeling Clàr-stuthan Cunntas-sluaigh agus Labeling - Nothan as cumanta, Buidheann Cheimigeach Eòrpach (Echa) Clàr-seilbhe & Labeling - Clàr-seilbhe fios agus bileag - A 'GABHAIL A-STEACH - A' mhòr-chuid de dh 'aithrisean as miosa |
