C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
Nọmba iforukọsilẹ CAS
784-71-4
H228
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 246.19 | - |
| Ibi Iyọ (Ayẹwo) | 149-150 °C | - |
| iwuwo (Asọtẹlẹ) | 1,63 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 9.39 ± 0.10 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
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 Awọn orukọ miiran fun nkan yii
2 "-Deoxy-2" -fluorouridine (ACI); 1- (2-Deoxy-2-fluoro- β -D-ribofuranosyl) uracil; 2 "-Fluoro-2" -deoxyuridine; 2′-Fluoro-uridine
Awọn ohun-ini ti o wa
Opitika ati tuka
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Opitika Yiyi Power | + 52 iwọn | Omi: Omi; λ: 589.3 nm; Iwọn otutu: 20 °C | (1) CAS |
(1) Codington, John F.; Iwe akosile ti American Chemical Society, (1961), 83, 5030-1, CAplus
| Ohun ini | Iye | Orisun ipo |
| Ojuami Iyo | 149-150 °C | (1) IC |
| Ojuami Iyo | Wo Ẹkunrẹrẹ Ọrọ | (2) CAS |
| Ojuami Iyo | Wo Ẹkunrẹrẹ Ọrọ | (3) IC |
(1) Mercer, John R.; Iwe akosile ti Kemistri Oogun, (1989), 32 (6), 1289-94, CAplus
(2) Codington, John F.; Iwe akosile ti American Chemical Society, (1961), 83, 5030-1, CAplus
(3) Van Aerschot, A.; Bulletin des Societes Chimiques Belges, (1989), 98 (12), 937-41, CAplus
Spectra wa
1 H NMR
13 C NMR
Hetero NMR
IR
Ibi
Ramani
UV ati Wiwa
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
iwuwo
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 12.1 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.1 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 11.6 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 8.45 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.33 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.54 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.54 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.54 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.54 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.54 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.54 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.54 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.56 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.70 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.25 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logP | -0.538± 0.456 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isolubu Agbekale | 4.9 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.2 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 6.9 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 25 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | Omi ti a ko fi silẹ pH 5.53; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 0.020 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.021 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.028 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.10 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | Omi ti a ko fi silẹ pH 5.53; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 246.19 | ||
| pKa | 9.39 ± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,63 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 150,8 ± 5,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 4 | (1) ACD | |
| H Awọn olugba | 7 | (1) ACD | |
| H Awọn oluranlọwọ | 3 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 10 | (1) ACD | |
| logP | -0.538± 0.456 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 246.19 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 99.1 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1 H NMR
13 C NMR
| Orisun Gbólóhùn Ewu koodu | |
| H228 Flammable ri to | Ile-iṣẹ Kemikali ti Yuroopu (ECHA) Isọdi& Aami aami Oja - Isọdi iwifunni ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali Yuroopu (ECHA) Isọsọ-sọtọ&Oja Ifipamọ - Isọdi ti iwifunni ati isamisi - awọn iwifunni to ṣe pataki julọ |
![C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl) amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
