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C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)

C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)

Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI) is a cutting-edge product manufactured by our factory. With top-notch quality and reliability, we are a leading producer in the industry.

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  • C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)

PRODUCTS DETAILS

CAS Registry Number 784-71-4 H228
Key Physical Properties Value Condition
Molecular Weight 246.19 -
Melting Point (Experimental) 149-150 °C -
Density (Predicted) 1.63±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr
pKa (Predicted) 9.39±0.10 Most Acidic Temp: 25 °C
Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F Isomeric SMILES 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)/t4-,6-,7-,8-/m1/s1 InChI Key UIYWFOZZIZEEKJ-XVFCMESISA-N 4 Other Names for this Substance 2′ -Deoxy-2′ -fluorouridine (ACI); 1-(2-Deoxy-2-fluoro- β -D-ribofuranosyl)uracil; 2′ -Fluoro-2′ -deoxyuridine; 2′ -Fluoro-uridine Properties available Optical and Scattering Thermal
Property Value Condition Source
Optical Rotatory Power +52 deg Solvent: Water; λ: 589.3 nm; Temp: 20 °C (1) CAS
(1) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
Property Value Condition                                         Source
Melting Point 149-150 °C (1) IC
Melting Point See Full Text (2) CAS
Melting Point See Full Text (3) IC
(1) Mercer, John R.; Journal of Medicinal Chemistry, (1989), 32(6), 1289-94, CAplus (2) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus (3) Van Aerschot, A.; Bulletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplusSpectra available 1 H NMR 13 C NMR Hetero NMR IR Mass Raman UV and Visible Properties available Biological Chemical Density Lipinski Structure Related
Property Value Condition Source
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) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property Value Condition Source
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
 
Property Value Condition Source
logP -0.538±0.456 Temp: 25 °C (1) ACD
Mass Intrinsic Solubility 4.9 g/L Temp: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 1; Temp: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 2; Temp: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 3; Temp: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 4; Temp: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 5; Temp: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 6; Temp: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 7; Temp: 25 °C (1) ACD
Mass Solubility 5.2 g/L pH 8; Temp: 25 °C (1) ACD
Mass Solubility 6.9 g/L pH 9; Temp: 25 °C (1) ACD
Mass Solubility 25 g/L pH 10; Temp: 25 °C (1) ACD
Mass Solubility 4.9 g/L Unbuffered Water pH 5.53; Temp: 25 °C (1) ACD
Molar Intrinsic Solubility 0.020 mol/L Temp: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 1; Temp: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 2; Temp: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 3; Temp: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 4; Temp: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 5; Temp: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 6; Temp: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 7; Temp: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 8; Temp: 25 °C (1) ACD
Molar Solubility 0.028 mol/L pH 9; Temp: 25 °C (1) ACD
Molar Solubility 0.10 mol/L pH 10; Temp: 25 °C (1) ACD
Molar Solubility 0.020 mol/L Unbuffered Water pH 5.53; Temp: 25 °C (1) ACD
Molecular Weight 246.19    
pKa 9.39±0.10 Most Acidic Temp: 25 °C (1) ACD
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property Value Condition Source
Density 1.63±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr (1) ACD
Molar Volume 150.8±5.0 cm3/mol Temp: 20 °C; Press: 760 Torr (1) ACD
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property Value Condition Source
Freely Rotatable Bonds 4   (1) ACD
H Acceptors 7   (1) ACD
H Donors 3   (1) ACD
H Donor/Acceptor Sum 10   (1) ACD
logP -0.538±0.456 Temp: 25 °C (1) ACD
Molecular Weight 246.19    
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Property Value Condition                                              Source
Polar Surface Area 99.1 A2 (1) ACD
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)Spectra available 1 H NMR 13 C NMR
Code                             Hazard Statement                                                        Source
H228                             Flammable solid European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications

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