C9h11fn2o5 uridine, 2 ′ -deoxy -2 ′ -fluoro- (7ci, 8ci, 9ci, ACI)
Nomor Registri CAS
784-71-4
H228
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 246.19 | - |
| Leluh Titik (Eksperimental) | 149-150 ° C. | - |
| Kepadatan (diprediksi) | 1,63 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 9,39 ± 0,10 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
O = C1C = CN (C (= O) N1) C2OC (CO) C (O) C2F
Senyum isomer
F [c@h] 1 [c @@ h] (o [c@h] (co) [c@h] 1o) n2c (= o) nc (= o) c = c2
Inci
Inchi = 1S/C9H11FN2O5/C10-6-7 (15) 4 (3-13) 17-8 (6) 12-2-1-5 (14) 11-9 (12) 16/H1-2,4,6-8,13,15, 3H2, (h, 11,14,16)/T4-, 6-, 7-, 7-, 8/S1/S1/S1/S1/S1/S1, 8-, 8-, 8-, 8-, 8-,
Kunci Inchi
Uiywfozzizeekj-xvfcmesisa-n
4 nama lain untuk zat ini
2 ′ -deoxy -2 ′ -fluorouridine (ACI); 1- (2-deoxy-2-fluoro- β -d-ribofuranosyl) uracil; 2 ′ -fluoro -2 ′ -deoxyuridine; 2 ′ -fluoro -uridine
Properti tersedia
Optik dan hamburan
Panas
| Milik | Nilai | Kondisi | Sumber |
| Daya rotasi optik | +52 derajat | Pelarut: air; λ: 589.3 nm; Temp: 20 ° C. | (1) Cas |
(1) Codington, John F.; Jurnal American Chemical Society, (1961), 83, 5030-1, Caplus
| Milik | Nilai | Sumber Kondisi |
| Titik lebur | 149-150 ° C. | (1) IC |
| Titik lebur | Lihat teks lengkap | (2) Cas |
| Titik lebur | Lihat teks lengkap | (3) IC |
(1) Mercer, John R.; Jurnal Kimia Obat, (1989), 32 (6), 1289-94, Caplus
(2) Codington, John F.; Jurnal American Chemical Society, (1961), 83, 5030-1, Caplus
(3) Van Aerschot, A.; Bulletin des Societes Chimiques Belges, (1989), 98 (12), 937-41, Caplus
Spektrum tersedia
1 h nmr
13 C NMR
Hetero NMR
IR
Massa
Raman
UV dan terlihat
Properti tersedia
Biologis
Kimia
Kepadatan
Lipinski
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Koc | 12.1 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 12.1 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 11.6 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 8.45 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 2.33 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.56 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.70 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.25 | pH 10; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| logp | -0,538 ± 0,456 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 4.9 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.9 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.9 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.9 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.9 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.9 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.9 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.9 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.2 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 6.9 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 25 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.9 g/l | Air PH 5.53 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 0,020 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,020 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,020 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,020 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,020 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,020 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,020 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,020 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,021 mol/L. | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,028 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,10 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0,020 mol/l | Air PH 5.53 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 246.19 | ||
| PKA | 9,39 ± 0,10 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,63 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 150,8 ± 5,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 4 | (1) ACD | |
| H akseptor | 7 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H donor/jumlah akseptor | 10 | (1) ACD | |
| logp | -0,538 ± 0,456 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 246.19 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 99.1 A2 | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1 h nmr
13 C NMR
| Sumber Pernyataan Bahaya Kode | |
| H228 mudah terbakar padat | Klasifikasi & Pelabelan Badan Kimia Eropa (ECHA) Inventarisasi - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Umum, Badan Kimia Eropa (ECHA) Inventarisasi Klasifikasi & Pelabelan - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Serius |
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