C9H11FN2O5 Wridin, 2′-deoxy-2′-fluoro- (7CI, 8CI, 9CI, ACI)
Rhif Cofrestru CAS
784-71-4
H228
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 246.19 | - |
| Pwynt Toddi (Arbrofol) | 149-150 °C | - |
| Dwysedd (Rhagfynegedig) | 1.63±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 9.39±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
GWÊNAU 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)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16-s)(H,11,14,16-s)
Allwedd InChI
UIYWFOZZIZEEKJ-XVFCMESISA-N
4 Enw Arall ar gyfer y Sylwedd hwn
2′-Deocsi-2′-fflworowridin (ACI); 1-(2-Deocsi-2-fflworo-β-D-ribofuranosyl)wracil; 2′-Fflworo-2′-deocsiwridin; 2′-Fflworo-wridin
Eiddo sydd ar gael
Optegol a Gwasgariad
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pŵer Cylchdroi Optegol | +52 gradd | Toddydd: Dŵr; λ: 589.3 nm; Tymheredd: 20 °C | (1) CAS |
(1) Codington, John F.; Cylchgrawn Cymdeithas Gemegol America, (1961), 83, 5030-1, CAplus
| Eiddo | Gwerth | Ffynhonnell y Cyflwr |
| Pwynt Toddi | 149-150 °C | (1) IC |
| Pwynt Toddi | Gweler y Testun Llawn | (2) CAS |
| Pwynt Toddi | Gweler y Testun Llawn | (3) IC |
(1) Mercer, John R.; Cylchgrawn Cemeg Feddyginiaethol, (1989), 32(6), 1289-94, CAplus
(2) Codington, John F.; Cylchgrawn Cymdeithas Gemegol America, (1961), 83, 5030-1, CAplus
(3) Van Aerschot, A.; Bwletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplus
Spectra sydd ar gael
1H NMR
13C NMR
NMR Hetero
IR
Màs
Raman
UV a Gweladwy
Eiddo sydd ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Cysylltiedig â Strwythur
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 12.1 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.1 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.1 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.1 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.1 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.1 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.1 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 11.6 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 8.45 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 2.33 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | -0.54 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | -0.54 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | -0.54 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | -0.54 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | -0.54 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | -0.54 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | -0.54 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | -0.56 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | -0.70 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | -1.25 | pH 10; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logP | -0.538±0.456 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 4.9 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.2 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 6.9 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 25 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.9 g/L | Dŵr Heb ei Gluffio pH 5.53; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 0.020 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.028 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.10 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.020 mol/L | Dŵr Heb ei Gluffio pH 5.53; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 246.19 | ||
| pKa | 9.39±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.63±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 150.8±5.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 4 | (1) ACD | |
| Derbynyddion H | 7 | (1) ACD | |
| Rhoddwyr H | 3 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 10 | (1) ACD | |
| logP | -0.538±0.456 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 246.19 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell y Cyflwr |
| Arwynebedd Wyneb Pegynol | 99.1 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
| Côd Datganiad Perygl Ffynhonnell | |
| H228 Solid fflamadwy | Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) Rhestr - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Asiantaeth Gemegol Ewrop (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |
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