C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Zofunika Zathupi | Mtengo | Mkhalidwe |
| Kulemera kwa Maselo | 371.35 | - |
| Melting Point (Zoyeserera) | 152 ° C | - |
| Kachulukidwe (Zonenedweratu) | 1.70±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
| pKa (Zonenedweratu) | 7.87±0.43 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
Isomeric AMAmwetulira O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H]( CO)[C@H]1O
InChi
InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-1 4(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1
InChi Key
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Maina ena a chinthu ichi
Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI); N-Benzoyladenosine (ACI); N6-Benzoyladenosine
| Katundu zilipo |
| Kutentha |
Kutentha
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Melting Point | 152 ° C | (1) IC | |
(1) Gopalakrishnan, Vidhya; Zokambirana - Indian Academy of Sciences, Chemical Sciences, (1989), 101(5), 401-13, CAplus
Spectra ilipo
1H NMR
13C NMR
Hetero NMR
IR
| Katundu zilipo |
| Zachilengedwe |
| Chemical |
| Kuchulukana |
| Lipinski |
| Zogwirizana ndi Kapangidwe |
Zachilengedwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 1.0 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.83 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.56 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.67 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.68 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.65 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.37 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.16 | 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 | 12.6 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Koc | 48.2 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Koc | 67.3 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Koc | 70.1 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Koc | 70.3 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Koc | 69.5 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Koc | 62.2 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Koc | 30.5 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Koc | 5.54 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Koc | 1.22 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logD | 0.12 | pH 1; Kutentha: 25 ° C | (1) ACD |
| logD | 0.70 | pH 2; Kutentha: 25 ° C | (1) ACD |
| logD | 0.85 | pH 3; Kutentha: 25 ° C | (1) ACD |
| logD | 0.86 | pH 4; Kutentha: 25 ° C | (1) ACD |
| logD | 0.87 | pH 5; Kutentha: 25 ° C | (1) ACD |
| logD | 0.86 | pH 6; Kutentha: 25 ° C | (1) ACD |
| logD | 0.81 | pH 7; Kutentha: 25 ° C | (1) ACD |
| logD | 0.50 | pH 8; Kutentha: 25 ° C | (1) ACD |
| logD | -0.24 | pH 9; Kutentha: 25 ° C | (1) ACD |
| logD | -0.89 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logP | 0.868±0.577 | Kutentha: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.037g/L | Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.22g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.056 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.041 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.041 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.037g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.041 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.045 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.089 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.48g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 2.2g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Misa Solubility | 0.041 g/L | Madzi Osasunthika pH 5.93; Kutentha: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.0 x 10-4 mol / L | Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-4 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.5 x 10-4 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.0 x 10-4 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.2 x 10-4 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 2.4 x 10-4 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.0 x 10-3 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol / L | Madzi Osasunthika pH 5.93; Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 371.35 | ||
| pKa | 7.87±0.43 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
| pKa | 1.39±0.10 | Kutentha Kwambiri Kwambiri: 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 | 1.70±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volume | 217.3±7.0cm3/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 | 6 | (1) ACD | |
| H Olandira | 10 | (1) ACD | |
| H Opereka | 4 | (1) ACD | |
| H Chiwerengero cha Wopereka / Wolandira | 14 | (1) ACD | |
| logP | 0.868±0.577 | Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 371.35 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Malo a Polar Surface | 143 a2 | (1) ACD | |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR
| Kodi | Chidziwitso Chowopsa | Gwero |
| H333 | Zitha kukhala zovulaza ngati mutakowetsedwa | Katswiri Wosankhidwa |
| H303 | Zitha kukhala zovulaza ngati zitamezedwa | Katswiri Wosankhidwa |
| H302 | Zowopsa ngati zitamezedwa | Gulu la European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, Gulu la European Chemical Agency (ECHA) Gulu & Zolemba Zolemba - Gulu lodziwitsidwa ndi zilembo - zidziwitso zazikulu kwambiri |
Mndandanda Wowongolera: REACH, TCSI
Zachinsinsi Zabizinesi: Pagulu
| Mawu ofanana ndi malamulo | ||
| Adenosine, N-benzoyl- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | FIKIRANI | - |
| N6-Benzoyladenosine | FIKIRANI | - |
Tsatanetsatane ndi Dziko/ Mayiko & Mindandanda Ina Yadziko/Chigawo Zomwe Zilipo
Chidule cha European Union
Mkhalidwe wa Inventory pa REACH Mndandanda wa Zinthu Zolembetsedwa
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Nambala Yoyang'anira Mndandanda wa EC No.: 610-251-3
Chidule cha Taiwan
Mkhalidwe wa Inventory pa TCSI Boma la Taiwan Ga
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