C9H11FN2O5 Uridinum, 2′-deoxy-2′-fluoro- (7CI, 8CI, 9CI, ACI)
Numerus Registri CAS
784-71-4
H228
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 246.19 | - |
| Punctum Liquefactionis (Experimentale) | 149-150°C | - |
| Densitas (Praedicta) | 1.63±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 9.39±0.10 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
Subrisus Isomerici
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
Clavis InChI
UIYWFOZZIZEEKJ-XVFCMESISA-N
Quattuor Alia Nomina Huius Substantiae
2'-Deoxy-2'-fluorouridinum (ACI); 1-(2-Deoxy-2-fluoro-β-D-ribofuranosyl)uracilum; 2'-Fluoro-2'-deoxyuridinum; 2'-Fluoro-uridinum
Proprietates praesto
Optica et Dispersio
Thermalis
| Possessio | Valor | Conditio | Fons |
| Potentia Rotatoria Optica | +52 gradus | Solvens: Aqua; λ: 589.3 nm; Temperatura: 20°C | (1) CAS |
(1) Codington, Ioannes F.; Acta Societatis Chemicae Americanae, (1961), 83, 5030-1, CAplus.
| Possessio | Valor | Fons Conditionis |
| Punctum Liquefactionis | 149-150°C | (1) CI |
| Punctum Liquefactionis | Vide Textum Integrum | (2) CAS |
| Punctum Liquefactionis | Vide Textum Integrum | (3) CI |
(1) Mercer, Ioannes R.; Acta Chemiae Medicae, (1989), 32(6), 1289-94, CAplus.
(2) Codington, Ioannes F.; Acta Societatis Chemicae Americanae, (1961), 83, 5030-1, CAplus.
(3) Van Aerschot, A.; Bulletin des Societes Chimiques Belges, (1989), 98(12), 937-41.
Spectra praesto sunt
1H NMR
13C NMR
Hetero NMR
IR
Missa
Ramanus
UV et Visibilis
Proprietates praesto
Biologicus
Chemica
Densitas
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 1.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Koc | 12.1 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 12.1 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 12.1 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 12.1 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 12.1 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 12.1 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 12.1 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 11.6 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 8.45 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 2.33 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | -0.54 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | -0.54 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | -0.54 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | -0.54 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | -0.54 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | -0.54 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | -0.54 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | -0.56 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | -0.70 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | -1.25 | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logP | -0.538±0.456 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 4.9 g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.9 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.9 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.9 g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.9 g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.9 g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.9 g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.9 g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.2 g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.9 g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 25 g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.9 g/L | Aqua non tamponata pH 5.53; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 0.020 mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.020 mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.020 mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.020 mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.020 mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.020 mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.020 mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.020 mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.028 mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.10 mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.020 mol/L | Aqua non tamponata pH 5.53; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 246.19 | ||
| pKa | 9.39±0.10 | Temperatura Acida Maxima: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Densitas | 1.63±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 150.8±5.0 cm³/mol | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 4 | (1) ACD | |
| Acceptores H | 7 | (1) ACD | |
| Donatores H | 3 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 10 | (1) ACD | |
| logP | -0.538±0.456 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 246.19 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 99.1 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
| Fons Enuntiationis Periculi Codicis | |
| H228 Solidum inflammabile | Classificatio et Inscriptiones Agentiae Chemicae Europaeae (ECHA) Inventarium - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Agentia Chemica Europaea (ECHA) Inventarium Classificationis et Inscriptionis - Classificatio et Inscriptionis Notificatae - Notificationes Gravissimae |
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