C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)

mankhwala

C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)

Zambiri Zoyambira:


Tsatanetsatane wa Zamalonda

Zolemba Zamalonda

Tsatanetsatane wa Mankhwala

Nambala ya Registry ya CAS

784-71-4

H228

Zofunika Zathupi Mtengo Mkhalidwe
Kulemera kwa Maselo 246.19 -
Melting Point (Zoyeserera) 149-150 ° C -
Kachulukidwe (Zonenedweratu) 1.63±0.1 g/cm3 Kutentha: 20 ° C;Press: 760 Torr
pKa (Zonenedweratu) 9.39±0.10 Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical SMILES

O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F

Isomeric AMAmwetulira

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 Maina ena a chinthu ichi

2'-Deoxy-2'-fluorouridine (ACI);1-(2-Deoxy-2-fluoro- β -D-ribofuranosyl)uracil;2'-Fluoro-2' -deoxyuridine;2 - Fluoro-uridine

Katundu zilipo
Kuwala ndi Kubalalika
Kutentha

Optical ndi Scatering

Katundu Mtengo Mkhalidwe Gwero
Mphamvu Yozungulira ya Optical + 52 deg Zosungunulira: Madzi;: 589.3 nm;Kutentha: 20 ° C (1) CAS

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

Kutentha

Katundu Mtengo Condition Source
Melting Point 149-150 ° C (1) IC
Melting Point Onani Mawu Onse (2) CAS
Melting Point Onani Mawu Onse (3) IC

(1) Mercer, John R.;Journal of Medicinal Chemistry, (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

Experimental Spectra

Spectra ilipo
1H NMR
13 C NMR
Hetero NMR
IR
Misa
Raman
UV ndi Zowoneka

Zonenedweratu Katundu

Katundu zilipo
Zachilengedwe
Chemical
Kuchulukana
Lipinski
Zogwirizana ndi Kapangidwe

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 1.0 pH 1;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 2;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 3;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 4;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 5;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 6;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 7;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 8;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 9;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 10;Kutentha: 25 ° C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Katundu Mtengo Mkhalidwe Gwero
Koc 12.1 pH 1;Kutentha: 25 ° C (1) ACD
Koc 12.1 pH 2;Kutentha: 25 ° C (1) ACD
Koc 12.1 pH 3;Kutentha: 25 ° C (1) ACD
Koc 12.1 pH 4;Kutentha: 25 ° C (1) ACD
Koc 12.1 pH 5;Kutentha: 25 ° C (1) ACD
Koc 12.1 pH 6;Kutentha: 25 ° C (1) ACD
Koc 12.1 pH 7;Kutentha: 25 ° C (1) ACD
Koc 11.6 pH 8;Kutentha: 25 ° C (1) ACD
Koc 8.45 pH 9;Kutentha: 25 ° C (1) ACD
Koc 2.33 pH 10;Kutentha: 25 ° C (1) ACD
logD -0.54 pH 1;Kutentha: 25 ° C (1) ACD
logD -0.54 pH 2;Kutentha: 25 ° C (1) ACD
logD -0.54 pH 3;Kutentha: 25 ° C (1) ACD
logD -0.54 pH 4;Kutentha: 25 ° C (1) ACD
logD -0.54 pH 5;Kutentha: 25 ° C (1) ACD
logD -0.54 pH 6;Kutentha: 25 ° C (1) ACD
logD -0.54 pH 7;Kutentha: 25 ° C (1) ACD
logD -0.56 pH 8;Kutentha: 25 ° C (1) ACD
logD -0.70 pH 9;Kutentha: 25 ° C (1) ACD
logD -1.25 pH 10;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
logP -0.538±0.456 Kutentha: 25 ° C (1) ACD
Mass Intrinsic Solubility 4.9g/l Kutentha: 25 ° C (1) ACD
Misa Solubility 4.9g/l pH 1;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.9g/l pH 2;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.9g/l pH 3;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.9g/l pH 4;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.9g/l pH 5;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.9g/l pH 6;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.9g/l pH 7;Kutentha: 25 ° C (1) ACD
Misa Solubility 5.2g/L pH 8;Kutentha: 25 ° C (1) ACD
Misa Solubility 6.9g/l pH 9;Kutentha: 25 ° C (1) ACD
Misa Solubility 25g/l pH 10;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.9g/l Madzi Osasunthika pH 5.53;Kutentha: 25 ° C (1) ACD
Molar Intrinsic Solubility 0.020 mol / L Kutentha: 25 ° C (1) ACD
Molar Solubility 0.020 mol / L pH 1;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.020 mol / L pH 2;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.020 mol / L pH 3;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.020 mol / L pH 4;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.020 mol / L pH 5;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.020 mol / L pH 6;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.020 mol / L pH 7;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 8;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.028 mol / L pH 9;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.10 mol / L pH 10;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.020 mol / L Madzi Osasunthika pH 5.53;Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 246.19    
pKa 9.39±0.10 Kutentha Kwambiri kwa Acid: 25 ° C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kuchulukana

Katundu Mtengo Mkhalidwe Gwero
Kuchulukana 1.63±0.1 g/cm3 Kutentha: 20 ° C;Press: 760 Torr (1) ACD
Molar Volume 150.8±5.0cm3/mol Kutentha: 20 ° C;Press: 760 Torr (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Katundu Mtengo Mkhalidwe Gwero
Ma Bond Osinthasintha Mwaulere 4   (1) ACD
H Olandira 7   (1) ACD
H Opereka 3   (1) ACD
H Chiwerengero cha Wopereka / Wolandira 10   (1) ACD
logP -0.538±0.456 Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 246.19    

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zogwirizana ndi Kapangidwe

Katundu Mtengo Condition Source
Malo a Polar Surface 99.1 A2 (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zoneneratu za Spectra

Spectra ilipo
1H NMR
13 C NMR

Zowopsa za GHS

Gwero la Chidziwitso Chowopsa cha Code
H228 Choyaka cholimba European Chemical Agency (ECHA) Classification & Labelling

Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, European Chemical Agency (ECHA)

Classification&Labelling Inventory - Gulu lodziwitsidwa ndi kulemba - zidziwitso zazikulu kwambiri


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