C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
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 |
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
| 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
| 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
Spectra iripo
1 H NMR
13 C NMR
Hetero NMR
IR
Misa
Raman
UV uye Inooneka
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)
| 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)
| 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)
| 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)
| 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)
Spectra iripo
1 H NMR
13 C NMR
| Code Hazard Statement Source | |
| H228 Inopfuta 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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