C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
Nimewo Rejis CAS
784-71-4
H228
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 246.19 | - |
| Pwen fizyon (eksperimantal) | 149-150 °C | - |
| Dansite (Prevwa) | 1.63±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr |
| pKa (Prevwa) | 9.39±0.10 | Tanperati ki pi asid: 25 °C |
SORI Kanonik
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
Souri izomerik
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 kle
UIYWFOZZIZEEKJ-XVFCMESISA-N
4 Lòt Non pou sibstans sa a
2'-Deoxy-2'-fluorouridine (ACI); 1-(2-Deoxy-2-fluoro-β -D-ribofuranosyl) uracil; 2′ -Fluoro-2′ -deoxyuridine; 2′ -Fluoro-uridin
Pwopriyete ki disponib
Optik ak gaye
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Optik Rotatory pouvwa | +52 degre | Sòlvan: Dlo; λ: 589.3 nm; Tanperati: 20 °C | (1) CAS |
(1) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
| Pwopriyete | Valè | Sous Kondisyon |
| Pwen k ap fonn | 149-150 °C | (1) IC |
| Pwen k ap fonn | Gade Tèks konplè | (2) CAS |
| Pwen k ap fonn | Gade Tèks konplè | (3) IC |
(1) Mercer, John R.; Journal of Medsin Chimi, (1989), 32 (6), 1289-94, CAplus
(2) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
(3) Van Aerschot, A.; Bulletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplus
Spectre ki disponib
1H RMN
13C RMN
Etero RMN
IR
Mass
Raman
UV ak Vizib
Pwopriyete ki disponib
Byolojik
Chimik
Dansite
Lipinski
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.0 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 12.1 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 12.1 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 12.1 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 12.1 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 12.1 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 12.1 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 12.1 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 11.6 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 8.45 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 2.33 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | -0.54 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | -0.54 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | -0.54 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | -0.54 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | -0.54 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | -0.54 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | -0.54 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | -0.56 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | -0.70 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | -1.25 | pH 10; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| logP | -0.538±0.456 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 4.9 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.2 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 6.9 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 25 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | Dlo san tampon pH 5.53; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 0.020 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.020 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.020 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.020 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.020 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.020 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.020 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.020 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.021 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.028 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.10 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.020 mol/L | Dlo san tampon pH 5.53; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 246.19 | ||
| pKa | 9.39±0.10 | Tanperati ki pi asid: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.63±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
| Volim molè | 150.8±5.0 cm3/mol | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 4 | (1) ACD | |
| H Aseptè | 7 | (1) ACD | |
| H Donatè | 3 | (1) ACD | |
| H Sòm donatè/akseptè | 10 | (1) ACD | |
| logP | -0.538±0.456 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 246.19 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Zòn Sifas Polè | 99.1 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
| Sous Deklarasyon Danje Kòd | |
| H228 Solid ki ka pran dife | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Etikèt Envantè - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè Etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi grav |
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