C9H11FN2O5 Uridine, 2′-deoxy-2′-fluoro- (7CI, 8CI, 9CI, ACI)
CAS-registraasjenûmer
784-71-4
H228
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 246.19 | - |
| Smeltpunt (eksperiminteel) | 149-150 °C | - |
| Dichtheid (foarsein) | 1,63 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 9.39±0.10 | Soerste temperatuer: 25 °C |
Kanonike SMILES
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
Isomere SMILES
F[C@H]1[C@H](O[C@H](CO)[C@H]1O)N2C(=O)NC(=O)C=C2
YnChI
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,11,14,4-/s,/s,11,14,4-/s,/s,
InChI-kaai
UIYWFOZZIZEEKJ-XVFCMESISA-N
4 Oare nammen foar dizze stof
2′-Deoxy-2′-fluorouridine (ACI); 1-(2-Deoxy-2-fluor-β-D-ribofuranosyl)uracil; 2′-Fluoro-2′-deoxyuridine; 2′-Fluoro-uridine
Beskikbere eigenskippen
Optyske en fersprieding
Termysk
| Besit | Wearde | Betingst | Boarne |
| Optyske rotaasjekrêft | +52 graden | Oplosmiddel: Wetter; λ: 589.3 nm; Temp: 20 °C | (1) CAS |
(1) Codington, John F.; Tydskrift fan 'e Amerikaanske Gemyske Feriening, (1961), 83, 5030-1, CAplus
| Besit | Wearde | Boarne fan 'e tastân |
| Smeltpunt | 149-150 °C | (1) IC |
| Smeltpunt | Sjoch folsleine tekst | (2) CAS |
| Smeltpunt | Sjoch folsleine tekst | (3) IC |
(1) Mercer, John R.; Tydskrift foar Medisinale Skiekunde, (1989), 32(6), 1289-94, CAplus
(2) Codington, John F.; Tydskrift fan 'e Amerikaanske Gemyske Feriening, (1961), 83, 5030-1, CAplus
(3) Van Aerschot, A.; Bulletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplus
Spektra beskikber
1H NMR
13C NMR
Hetero NMR
IR
Mis
Raman
UV en Sichtber
Beskikbere eigenskippen
Biologysk
Gemysk
Dichtheid
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 12.1 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.1 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.1 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.1 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.1 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.1 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.1 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 11.6 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 8.45 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 2.33 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | -0.54 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | -0.54 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | -0.54 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | -0.54 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | -0.54 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | -0.54 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | -0.54 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | -0.56 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | -0.70 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | -1.25 | pH 10; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| logP | -0.538±0.456 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 4,9 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,2 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 6,9 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 25 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 g/L | Unbufferd wetter pH 5.53; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 0,020 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,020 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,020 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,020 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,020 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,020 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,020 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,020 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,028 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,10 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,020 mol/L | Unbufferd wetter pH 5.53; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 246.19 | ||
| pKa | 9.39±0.10 | Soerste temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1,63 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 150,8 ± 5,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 4 | (1) ACD | |
| H-akseptors | 7 | (1) ACD | |
| H Donateurs | 3 | (1) ACD | |
| H Donor/Akseptor Som | 10 | (1) ACD | |
| logP | -0.538±0.456 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 246.19 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 99.1 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
| Boarne fan 'e gefaarferklearring fan 'e koade | |
| H228 Brandbere fêste stof | Klassifikaasje en etikettering fan it Europeesk Gemysk Agintskip (ECHA) Ynventaris - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Europeesk Gemysk Agintskip (ECHA) Klassifikaasje- en etiketteringsynventaris - Meldde klassifikaasje en etikettering - meast serieuze meldingen |
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