C9H11FN2O5 uridine, 2 '-Dexy-2' -Fluoro- (7CI, 8CI, 9CI, ACI)

produkt

C9H11FN2O5 uridine, 2 '-Dexy-2' -Fluoro- (7CI, 8CI, 9CI, ACI)

Basisynformaasje:


Produkt detail

Produkt tags

Substânsje detail

CAS Registry Number

784-71-4

H228

Kaai fysike eigenskippen Wearde Betingst
Molekulêr gewicht 246.19 -
Melting Point (eksperiminteel) 149-150 ° C -
Tichtheid (foarsizze) 1.63 ± 0,1 g / cm3 Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze) 9.39 ± 0.10 Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes

O = c1c = cn (c (= o) n1) c2oc (co) c (o) c2f

Isomeryske glimkes

F [c @ h] 1 [c @@ h] (O [C @ h] (CO) [C @ h] 1o) N2C (= o) nc (= o) c = c =

Inchi

Inchi = 1s / c9h11fn2o5 / c10-6-7 (15) 4 (3) 4 (3) 12-25 (12) 16 /) 11) 16 / H1,15H, 3H2, (H, 11.16) / T4-, 6-, 7-, 8- / M1 / ​​S1

Inchi-kaai

UiywFozizeEekJ-XVFCMESISA-N

4 oare nammen foar dizze substansje

2 '-Dexy-2' '-fluoRouridine (ACI); 1- (2-dexy-2-fluoro- β -d-ribofuranosyl) Uracil; 2 '-fluoro-2' -Dexyuridine; 2 '-fluoRo-uridine

Eigenskippen beskikber
Optysk en fersprieding
Thermal

Optysk en skieding

Besit Wearde Betingst Boarne
Optyske rottende krêft +52 deg Solvent: Wetter; λ: 589,3 nm; Temp: 20 ° C (1) CAS

(1) Codington, John F .; Journal of the American Chemical Society, (1961), 83, 5030-1, Caplus

Thermal

Besit Wearde Betingst boarne
Melting Point 149-150 ° C (1) ic
Melting Point Sjoch folsleine tekst (2) CAS
Melting Point Sjoch folsleine tekst (3) ic

(1) Mercer, John R .; Journal of Medicinal Chemistry, (1989), 32 (6), 1289-94, Caplus

(2) Koade, John F .; Journal of the American Chemical Society, (1961), 83, 5030-1, Caplus

(3) Van Aerschot, A .; Bulletin des Mospotees Kimiques Belges, (1989), 98 (12), 937-41, Caplus

Eksperimintele spektra

Spectra te krijen
1 h nmr
13 C NMR
Hetero nmr
IR
Mis
Raman
UV en sichtber

Foarsichtich eigenskippen

Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre

Besit Wearde Betingst Boarne
Bioconcentration Factor 1.0 pH 1; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 2; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 3; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 4; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 5; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 6; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 7; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 8; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 9; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 10; Temp: 25 ° C (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Gemysk

Besit Wearde Betingst Boarne
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

 

Besit Wearde Betingst Boarne
Logp -0.538 ± 0,456 Temp: 25 ° C (1) ACD
Massa intrinsike oplosmiddel 4.9 g / l Temp: 25 ° C (1) ACD
Massa-oplosberens 4.9 g / l pH 1; Temp: 25 ° C (1) ACD
Massa-oplosberens 4.9 g / l pH 2; Temp: 25 ° C (1) ACD
Massa-oplosberens 4.9 g / l pH 3; Temp: 25 ° C (1) ACD
Massa-oplosberens 4.9 g / l pH 4; Temp: 25 ° C (1) ACD
Massa-oplosberens 4.9 g / l pH 5; Temp: 25 ° C (1) ACD
Massa-oplosberens 4.9 g / l pH 6; Temp: 25 ° C (1) ACD
Massa-oplosberens 4.9 g / l pH 7; Temp: 25 ° C (1) ACD
Massa-oplosberens 5,2 g / l pH 8; Temp: 25 ° C (1) ACD
Massa-oplosberens 6,9 g / l pH 9; Temp: 25 ° C (1) ACD
Massa-oplosberens 25 g / l pH 10; Temp: 25 ° C (1) ACD
Massa-oplosberens 4.9 g / l Unbuffered wetter Ph 5.53; Temp: 25 ° C (1) ACD
Molêre yntrinsike oplosmiddel 0,020 mol / l Temp: 25 ° C (1) ACD
Milarlabiliteit 0,020 mol / l pH 1; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,020 mol / l pH 2; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,020 mol / l pH 3; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,020 mol / l pH 4; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,020 mol / l pH 5; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,020 mol / l pH 6; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,020 mol / l pH 7; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,021 mol / l pH 8; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,028 mol / l pH 9; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,10 mol / l pH 10; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,020 mol / l Unbuffered wetter Ph 5.53; Temp: 25 ° C (1) ACD
Molekulêr gewicht 246.19    
pka 9.39 ± 0.10 Meast Acidic Temp: 25 ° C (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Densheid

Besit Wearde Betingst Boarne
Densheid 1.63 ± 0,1 g / cm3 Temp: 20 ° C; Parse: 760 Torr (1) ACD
Molar volume 150,8 ± 5.0 cm3 / Mol Temp: 20 ° C; Parse: 760 Torr (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Lipinski

Besit Wearde Betingst Boarne
Frij rotatbere bonnen 4   (1) ACD
H akseptearders 7   (1) ACD
H Donors 3   (1) ACD
H Donor / akseptearje SUM 10   (1) ACD
Logp -0.538 ± 0,456 Temp: 25 ° C (1) ACD
Molekulêr gewicht 246.19    

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Struktuer relatearre

Besit Wearde Betingst boarne
Polar oerflak 99.1 a2 (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Foarseine spektra

Spectra te krijen
1 h nmr
13 C NMR

GHS-gefaarferklearring

Koade gefaarferklearring boarne
H228 Flammable bêst European Chemical Agency (Echa) Klassifikaasje en etikettering

Ynventarisaasje - notified Classification and label - Meast Common notifikaasjes, European Chemical Agency (Echa)

Klassifikaasje- en etikettering ynventarisaasje - notified klassifikaasje en etikettering - meast serieuze notifikaasjes


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