C9H11FN2O5 Uridine, 2 ′ -deoxy -2 ′ -fluoro- (7ci, 8ci, 9ci, ACI)
Nimewo rejis CAS
784-71-4
H228
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 246.19 | - |
| Pwen k ap fonn (eksperimantal) | 149-150 ° C | - |
| Dansite (prevwa) | 1.63 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 9.39 ± 0.10 | Pifò asid tanperati: 25 ° C |
Souri kanonyal
O = C1c = CN (C (= O) N1) C2OC (CO) C (O) C2F
Souri izomèr
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 -uridine
Pwopriyete ki disponib
Optik ak simaye
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Optik pouvwa wotasyon | +52 DEG | Sòlvan: dlo; λ: 589.3 nm; Tan: 20 ° C | (1) Cas |
(1) Codington, John F; Journal of American Chemical Society, (1961), 83, 5030-1, Caplus
| Posesyon | 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 Chimi medsin, (1989), 32 (6), 1289-94, Caplus
(2) Codington, John F; Journal of American Chemical Society, (1961), 83, 5030-1, Caplus
(3) Van Aerschot, A.; Bilten des Sosyete Chimiques Belges, (1989), 98 (12), 937-41, Caplus
Spèktr ki disponib
1 H NMR
13 C NMR
Etero nmr
IR
Mas
Raman
UV ak vizib
Pwopriyete ki disponib
Biolojik
Chimik
Densite
Lipinski
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 12.1 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 12.1 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 12.1 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 12.1 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 12.1 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 12.1 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 12.1 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 11.6 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 8.45 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 2.33 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | -0.54 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | -0.54 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | -0.54 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | -0.54 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | -0.54 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | -0.54 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | -0.54 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | -0.56 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | -0.70 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | -1.25 | pH 10; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| logp | -0.538 ± 0.456 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 4.9 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.2 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 6.9 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 25 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | PH dlo unbuffered 5.53; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 0.020 mol/L | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.021 mol/L | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.028 mol/L | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.10 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | PH dlo unbuffered 5.53; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 246.19 | ||
| pka | 9.39 ± 0.10 | Pifò asid tanperati: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.63 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 150.8 ± 5.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 4 | (1) ACD | |
| H akseptab | 7 | (1) ACD | |
| H donatè | 3 | (1) ACD | |
| H donatè/aksepte sòm | 10 | (1) ACD | |
| logp | -0.538 ± 0.456 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 246.19 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Sous kondisyon |
| Zòn sifas polè | 99.1 A2 | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1 H NMR
13 C NMR
| Kòd Deklarasyon Sous Deklarasyon | |
| H228 ki ka pran dife solid | Ewopeyen Ajans Chimik (ECHA) Klasifikasyon & Etikèt Envantè - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ajans Chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi grav |
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