C9H11FN2O5 Uridine, 2 ′ -Deoxy -2 ′ -fluoro- (7CI, 8CI, 9CI, ACI)
Rhif Cofrestrfa CAS
784-71-4
H228
| Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
| Pwysau moleciwlaidd | 246.19 | - |
| Toddi (arbrofol) | 149-150 ° C. | - |
| Dwysedd (a ragwelir) | 1.63 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
| PKA (a ragwelir) | 9.39 ± 0.10 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd
O = C1c = CN (C (= O) N1) C2OC (CO) C (O) C2F
Gwenau isomerig
F [c@h] 1 [c @@ h] (o [c@h] (co) [c@h] 1o) n2c (= o) nc (= o) c = c2
Inchi
Inchi = 1S/C9H11FN2O5/C10-6-7 (15) 4 (3-13) 17-8 (6) 12-2-1-1-5 (14) 11-9 (12) 16/H1-2,4,6-8,13,15H, 3H2, (h, 11,14,16)
Allwedd inchi
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4 Enw Eraill ar gyfer y Sylwedd hwn
2 ′ -deoxy -2 ′ -fluorouridine (ACI); 1- (2-deoxy-2-fluoro- β -d-ribofuranosyl) uracil; 2 ′ -fluoro -2 ′ -deoxyuridine; 2 ′ -fluoro -uridine
Eiddo ar gael
Optegol a gwasgaru
Thermol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Pŵer cylchdro optegol | +52 deg | Toddydd: Dŵr; λ: 589.3 nm; TEMP: 20 ° C. | (1) CAS |
(1) Codington, John F.; Cyfnodolyn Cymdeithas Cemegol America, (1961), 83, 5030-1, Caplus
| Eiddo | Gwerthfawrogom | Ffynhonnell Cyflwr |
| Pwynt toddi | 149-150 ° C. | (1) IC |
| Pwynt toddi | Gweler Testun Llawn | (2) CAS |
| Pwynt toddi | Gweler Testun Llawn | (3) IC |
(1) Mercer, John R.; Journal of Medicinal Chemistry, (1989), 32 (6), 1289-94, Caplus
(2) Codington, John F.; Cyfnodolyn Cymdeithas Cemegol America, (1961), 83, 5030-1, Caplus
(3) Van Aerschot, A.; Bwletin des societes Chimquiques Belges, (1989), 98 (12), 937-41, Caplus
Sbectra ar gael
1 h nmr
13 C NMR
Hetero nmr
IR
Torfol
Raman
UV a gweladwy
Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| 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 |
| log | -0.54 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| log | -0.54 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| log | -0.54 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| log | -0.54 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| log | -0.54 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| log | -0.54 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| log | -0.54 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| log | -0.56 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| log | -0.70 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| log | -1.25 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| logio | -0.538 ± 0.456 | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid torfol | 4.9 g/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.9 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.9 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.9 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.9 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.9 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.9 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.9 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 5.2 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 6.9 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 25 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.9 g/l | Dŵr heb ei drin pH 5.53; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid molar | 0.020 mol/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.020 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.020 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.020 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.020 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.020 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.020 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.020 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.021 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.028 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.10 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 0.020 mol/l | Dŵr heb ei drin pH 5.53; TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 246.19 | ||
| PKA | 9.39 ± 0.10 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ddwysedd | 1.63 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
| Cyfaint molar | 150.8 ± 5.0 cm3/mol | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Bondiau rotatable yn rhydd | 4 | (1) ACD | |
| H Derbynyddion | 7 | (1) ACD | |
| H rhoddwyr | 3 | (1) ACD | |
| H rhoddwr/derbynnydd swm | 10 | (1) ACD | |
| logio | -0.538 ± 0.456 | TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 246.19 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Eiddo | Gwerthfawrogom | Ffynhonnell Cyflwr |
| Arwynebedd pegynol | 99.1 A2 | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1 h nmr
13 C NMR
| Ffynhonnell Datganiad Perygl Cod | |
| H228 solid fflamadwy | Dosbarthiad a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) Rhestr - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Asiantaeth Gemegol Ewropeaidd (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |
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