C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
Nombor Pendaftaran CAS
784-71-4
H228
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 246.19 | - |
| Takat Lebur (Eksperimen) | 149-150 °C | - |
| Ketumpatan (Diramalkan) | 1.63±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 9.39±0.10 | Suhu Paling Berasid: 25 °C |
SENYUM Canonical
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
SENYUMAN Isomerik
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
Kunci InChI
UIYWFOZZIZEEKJ-XVFCMESISA-N
4 Nama Lain untuk Bahan ini
2′ -Deoxy-2′ -fluorouridine (ACI); 1-(2-Deoxy-2-fluoro- β -D-ribofuranosyl)uracil; 2′ -Fluoro-2′ -deoxyuridine; 2′ -Fluoro-uridine
Hartanah tersedia
Optik dan Penyebaran
terma
| Harta benda | Nilai | keadaan | Sumber |
| Kuasa Putaran Optik | +52 darjah | Pelarut: Air; λ: 589.3 nm; Suhu: 20 °C | (1) CAS |
(1) Codington, John F.; Jurnal Persatuan Kimia Amerika, (1961), 83, 5030-1, CAplus
| Harta benda | Nilai | Sumber Keadaan |
| Takat Lebur | 149-150 °C | (1) IC |
| Takat Lebur | Lihat Teks Penuh | (2) CAS |
| Takat Lebur | Lihat Teks Penuh | (3) IC |
(1) Mercer, John R.; Jurnal Kimia Perubatan, (1989), 32(6), 1289-94, CAplus
(2) Codington, John F.; Jurnal Persatuan Kimia Amerika, (1961), 83, 5030-1, CAplus
(3) Van Aerschot, A.; Buletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplus
Spectra tersedia
1 H NMR
13 C NMR
Hetero NMR
IR
Mass
Raman
UV dan Boleh Nampak
Hartanah tersedia
Biologi
kimia
Ketumpatan
Lipinski
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 12.1 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 11.6 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 8.45 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 2.33 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -0.54 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -0.54 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -0.54 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | -0.54 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | -0.54 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | -0.54 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -0.54 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -0.56 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -0.70 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -1.25 | pH 10; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| logP | -0.538±0.456 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 4.9 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 5.2 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 6.9 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 25 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | Air Tidak Penampan pH 5.53; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 0.020 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.020 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.020 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.020 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.020 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.020 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.020 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.020 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.021 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.028 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.10 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.020 mol/L | Air Tidak Penampan pH 5.53; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 246.19 | ||
| pKa | 9.39±0.10 | Suhu Paling Berasid: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Ketumpatan | 1.63±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 150.8±5.0 cm3/mol | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 4 | (1) ACD | |
| H Penerima | 7 | (1) ACD | |
| H Penderma | 3 | (1) ACD | |
| H Jumlah Penderma/Penerima | 10 | (1) ACD | |
| logP | -0.538±0.456 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 246.19 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | Sumber Keadaan |
| Kawasan Permukaan Kutub | 99.1 A2 | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1 H NMR
13 C NMR
| Sumber Pernyataan Bahaya Kod | |
| H228 Pepejal mudah terbakar | Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA). Inventori - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Agensi Kimia Eropah (ECHA) Inventori Klasifikasi&Pelabelan - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
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