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

chigadzirwa

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

Basic Information:


Product Detail

Product Tags

Details Detail

CAS Registry Nhamba

784-71-4

H228

Zvinhu Zvinokosha Zvemuviri Value Condition
Molecular Weight 246.19 -
Melting Point (Yekuedza) 149-150 °C -
Density (zvakafanotaurwa) 1.63±0.1 g/cm3 Tembiricha: 20 °C;Dhinda: 760 Torr
pKa (Zvakafanotaurwa) 9.39±0.10 Yakanyanya Acid Temp: 25 °C

Mamwe Mazita Nezviziviso

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 Mamwe Mazita eChinhu ichi

2′ -Deoxy-2′ -fluorouridine (ACI);1-(2-Deoxy-2-fluoro- β -D-ribofuranosyl)uracil;2'-Fluoro-2′ -deoxyuridine;2′ -Fluoro-uridine

Properties iripo
Optical uye Kuparadzira
Thermal

Optical uye Scatering

Property Value Condition Source
Optical Rotatory Power +52 deg Solvent: Mvura;λ: 589.3 nm;Tembiricha: 20 °C (1) CAS

(1) Codington, John F.;Nyaya yeAmerican Chemical Society, (1961), 83, 5030-1, CAplus

Thermal

Property Value Condition Source
Melting Point 149-150 °C (1) IC
Melting Point Ona Rugwaro Rwakazara (2) CAS
Melting Point Ona Rugwaro Rwakazara (3) IC

(1) Mercer, John R.;Chinyorwa cheMedicinal Chemistry, (1989), 32 (6), 1289-94, CAplus

(2) Codington, John F.;Nyaya yeAmerican Chemical Society, (1961), 83, 5030-1, CAplus

(3) Van Aerschot, A.;Bulletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplus

Experimental Spectra

Spectra iripo
1 H NMR
13 C NMR
Hetero NMR
IR
Misa
Raman
UV uye Inooneka

Predicted Properties

Properties iripo
Biological
Chemical
Density
Lipinski
Chimiro Chinoenderana

Property Value Condition Source
Bioconcentration Factor 1.0 pH 1;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 2;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 3;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 4;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 5;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 6;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 7;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 8;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 9;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 10;Tembiricha: 25 °C (1) ACD

(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Property Value Condition Source
Koc 12.1 pH 1;Tembiricha: 25 °C (1) ACD
Koc 12.1 pH 2;Tembiricha: 25 °C (1) ACD
Koc 12.1 pH 3;Tembiricha: 25 °C (1) ACD
Koc 12.1 pH 4;Tembiricha: 25 °C (1) ACD
Koc 12.1 pH 5;Tembiricha: 25 °C (1) ACD
Koc 12.1 pH 6;Tembiricha: 25 °C (1) ACD
Koc 12.1 pH 7;Tembiricha: 25 °C (1) ACD
Koc 11.6 pH 8;Tembiricha: 25 °C (1) ACD
Koc 8.45 pH 9;Tembiricha: 25 °C (1) ACD
Koc 2.33 pH 10;Tembiricha: 25 °C (1) ACD
logD -0.54 pH 1;Tembiricha: 25 °C (1) ACD
logD -0.54 pH 2;Tembiricha: 25 °C (1) ACD
logD -0.54 pH 3;Tembiricha: 25 °C (1) ACD
logD -0.54 pH 4;Tembiricha: 25 °C (1) ACD
logD -0.54 pH 5;Tembiricha: 25 °C (1) ACD
logD -0.54 pH 6;Tembiricha: 25 °C (1) ACD
logD -0.54 pH 7;Tembiricha: 25 °C (1) ACD
logD -0.56 pH 8;Tembiricha: 25 °C (1) ACD
logD -0.70 pH 9;Tembiricha: 25 °C (1) ACD
logD -1.25 pH 10;Tembiricha: 25 °C (1) ACD

 

Property Value Condition Source
logP -0.538±0.456 Tembiricha: 25 °C (1) ACD
Mass Intrinsic Solubility 4.9 g/L Tembiricha: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 1;Tembiricha: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 2;Tembiricha: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 3;Tembiricha: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 4;Tembiricha: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 5;Tembiricha: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 6;Tembiricha: 25 °C (1) ACD
Mass Solubility 4.9 g/L pH 7;Tembiricha: 25 °C (1) ACD
Mass Solubility 5.2 g/L pH 8;Tembiricha: 25 °C (1) ACD
Mass Solubility 6.9 g/L pH 9;Tembiricha: 25 °C (1) ACD
Mass Solubility 25 g/L pH 10;Tembiricha: 25 °C (1) ACD
Mass Solubility 4.9 g/L Unbuffered Mvura pH 5.53;Tembiricha: 25 °C (1) ACD
Molar Intrinsic Solubility 0.020 mol/L Tembiricha: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 1;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 2;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 3;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 4;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 5;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 6;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.020 mol/L pH 7;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 8;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.028 mol/L pH 9;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.10 mol/L pH 10;Tembiricha: 25 °C (1) ACD
Molar Solubility 0.020 mol/L Unbuffered Mvura pH 5.53;Tembiricha: 25 °C (1) ACD
Molecular Weight 246.19    
pKa 9.39±0.10 Yakanyanya Acid Temp: 25 °C (1) ACD

(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Density

Property Value Condition Source
Density 1.63±0.1 g/cm3 Tembiricha: 20 °C;Dhinda: 760 Torr (1) ACD
Molar Volume 150.8±5.0 cm3/mol Tembiricha: 20 °C;Dhinda: 760 Torr (1) ACD

(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Property Value Condition Source
Zvakasununguka Zvisungo Zvinotenderera 4   (1) ACD
H Vagamuchiri 7   (1) ACD
H Vanopa 3   (1) ACD
H Donor/Acceptor Sum 10   (1) ACD
logP -0.538±0.456 Tembiricha: 25 °C (1) ACD
Molecular Weight 246.19    

(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chimiro Chinoenderana

Property Value Condition Source
Nzvimbo yePolar Surface 99.1 A2 (1) ACD

(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Predicted Spectra

Spectra iripo
1 H NMR
13 C NMR

GHS Hazard Statements

Code Hazard Statement Source
H228 Inopisa yakasimba European Chemical Agency (ECHA) Classification & Labelling

Inventory - Yakaziviswa kupatsanurwa uye kunyora - yakajairika zviziviso, European Chemical Agency (ECHA)

Classification&Labelling Inventory - Yakaziviswa kupatsanurwa uye kunyora - zvakanyanya kukomba zviziviso


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