C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
Inombolo Yokubhalisa ye-CAS
784-71-4
H228
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 246.19 | - |
| I-Melting Point (Eyokuhlola) | 149-150 °C | - |
| Ukuminyana (Kubikezelwe) | 1.63±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 9.39±0.10 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical SMILES
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
I-Isomeric SMILES
F[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C(=O)NC(=O)C=C2
I-InChI
I-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
Ukhiye we-InchI
UIYWFOZZIZEEKJ-XVFCMESISA-N
4 Amanye Amagama Alesi Sitho
2′ -Deoxy-2′ -fluorouridine (ACI); 1-(2-Deoxy-2-fluoro- β -D-ribofuranosyl)uracil; 2'-Fluoro-2' -deoxyuridine; 2′ -Fluoro-uridine
Izakhiwo ezitholakalayo
I-Optical kanye nokuhlakazeka
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| Amandla Ajikelezayo Wamehlo | + 52 degrees | I-solvent: Amanzi; λ: 589.3 nm; Izinga lokushisa: 20 °C | (1) I-CAS |
(1) Codington, John F.; Ijenali ye-American Chemical Society, (1961), 83, 5030-1, CAplus
| Impahla | Inani | Umthombo Wesimo |
| I-Melting Point | 149-150 °C | (1) IC |
| I-Melting Point | Bheka Umbhalo Ogcwele | (2) I-CAS |
| I-Melting Point | Bheka Umbhalo Ogcwele | (3) IC |
(1) Mercer, uJohn R.; Ijenali ye-Medicinal Chemistry, (1989), 32(6), 1289-94, CAplus
(2) Codington, John F.; Ijenali ye-American Chemical Society, (1961), 83, 5030-1, CAplus
(3) Van Aerschot, A.; I-Bulletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplus
I-Spectra iyatholakala
1 H NMR
13 C NMR
I-Hetero NMR
IR
IMisa
Raman
I-UV futhi Iyabonakala
Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
Lipinski
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 1.0 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Koc | 12.1 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 12.1 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 12.1 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 12.1 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 12.1 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 12.1 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 12.1 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 11.6 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 8.45 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 2.33 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.54 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.54 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.54 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.54 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.54 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.54 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.54 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.56 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.70 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -1.25 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| logP | -0.538±0.456 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 4.9 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.2 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 6.9 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 25 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | Amanzi Angakhiqiziwe pH 5.53; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 0.020 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.020 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.020 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.020 mol/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.020 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.020 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.020 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.020 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.021 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.028 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.10 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.020 mol/L | Amanzi Angakhiqiziwe pH 5.53; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 246.19 | ||
| pKa | 9.39±0.10 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.63±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 150.8±5.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 4 | (1) ACD | |
| H Abamukelayo | 7 | (1) ACD | |
| H Abanikeli | 3 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 10 | (1) ACD | |
| logP | -0.538±0.456 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 246.19 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Umthombo Wesimo |
| Indawo ye-Polar Surface | 99.1 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1 H NMR
13 C NMR
| Umthombo Wesitatimende Sengozi Yekhodi | |
| H228 Okuqinile okuvutha umlilo | I-European Chemical Agency (ECHA) Classification&Labelling I-Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, i-European Chemical Agency (ECHA) Ukuhlelwa Nokufakwa Kwelebula - Izigaba ezaziswe nokulebula - izaziso ezibucayi kakhulu |
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