C9H11FN2O5 uridine, 2 '-Dexy-2' -Fluoro- (7CI, 8CI, 9CI, ACI)
CAS Registry Number
784-71-4
H228
Kaai fysike eigenskippen | Wearde | Betingst |
Molekulêr gewicht | 246.19 | - |
Melting Point (eksperiminteel) | 149-150 ° C | - |
Tichtheid (foarsizze) | 1.63 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
PKA (foarsizze) | 9.39 ± 0.10 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
O = c1c = cn (c (= o) n1) c2oc (co) c (o) c2f
Isomeryske glimkes
F [c @ h] 1 [c @@ h] (O [C @ h] (CO) [C @ h] 1o) N2C (= o) nc (= o) c = c =
Inchi
Inchi = 1s / c9h11fn2o5 / c10-6-7 (15) 4 (3) 4 (3) 12-25 (12) 16 /) 11) 16 / H1,15H, 3H2, (H, 11.16) / T4-, 6-, 7-, 8- / M1 / S1
Inchi-kaai
UiywFozizeEekJ-XVFCMESISA-N
4 oare nammen foar dizze substansje
2 '-Dexy-2' '-fluoRouridine (ACI); 1- (2-dexy-2-fluoro- β -d-ribofuranosyl) Uracil; 2 '-fluoro-2' -Dexyuridine; 2 '-fluoRo-uridine
Eigenskippen beskikber
Optysk en fersprieding
Thermal
Besit | Wearde | Betingst | Boarne |
Optyske rottende krêft | +52 deg | Solvent: Wetter; λ: 589,3 nm; Temp: 20 ° C | (1) CAS |
(1) Codington, John F .; Journal of the American Chemical Society, (1961), 83, 5030-1, Caplus
Besit | Wearde | Betingst boarne |
Melting Point | 149-150 ° C | (1) ic |
Melting Point | Sjoch folsleine tekst | (2) CAS |
Melting Point | Sjoch folsleine tekst | (3) ic |
(1) Mercer, John R .; Journal of Medicinal Chemistry, (1989), 32 (6), 1289-94, Caplus
(2) Koade, John F .; Journal of the American Chemical Society, (1961), 83, 5030-1, Caplus
(3) Van Aerschot, A .; Bulletin des Mospotees Kimiques Belges, (1989), 98 (12), 937-41, Caplus
Spectra te krijen
1 h nmr
13 C NMR
Hetero nmr
IR
Mis
Raman
UV en sichtber
Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre
Besit | Wearde | Betingst | Boarne |
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) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst | Boarne |
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 |
Besit | Wearde | Betingst | Boarne |
Logp | -0.538 ± 0,456 | Temp: 25 ° C | (1) ACD |
Massa intrinsike oplosmiddel | 4.9 g / l | Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5,2 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 6,9 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 25 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 g / l | Unbuffered wetter Ph 5.53; Temp: 25 ° C | (1) ACD |
Molêre yntrinsike oplosmiddel | 0,020 mol / l | Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,020 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,020 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,020 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,020 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,020 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,020 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,020 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,021 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,028 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,10 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 0,020 mol / l | Unbuffered wetter Ph 5.53; Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 246.19 | ||
pka | 9.39 ± 0.10 | Meast Acidic Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst | Boarne |
Densheid | 1.63 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
Molar volume | 150,8 ± 5.0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst | Boarne |
Frij rotatbere bonnen | 4 | (1) ACD | |
H akseptearders | 7 | (1) ACD | |
H Donors | 3 | (1) ACD | |
H Donor / akseptearje SUM | 10 | (1) ACD | |
Logp | -0.538 ± 0,456 | Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 246.19 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst boarne |
Polar oerflak | 99.1 a2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1 h nmr
13 C NMR
Koade gefaarferklearring boarne | |
H228 Flammable bêst | European Chemical Agency (Echa) Klassifikaasje en etikettering Ynventarisaasje - notified Classification and label - Meast Common notifikaasjes, European Chemical Agency (Echa) Klassifikaasje- en etikettering ynventarisaasje - notified klassifikaasje en etikettering - meast serieuze notifikaasjes |