C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 371.35 | - |
| I-Melting Point (Eyokuhlola) | 152 °C | - |
| Ukuminyana (Kubikezelwe) | 1.70±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 7.87±0.43 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
Isomeric IYAMAMAtheka 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
I-InChI
I-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
Ukhiye we-InchI
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Amanye Amagama Alesi Sitho
I-Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI); I-N-Benzoyladenosine (ACI); I-N6-Benzoyladenosine
| Izakhiwo ezitholakalayo |
| Okushisayo |
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| I-Melting Point | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya; Izinqubo - I-Indian Academy of Sciences, Chemical Sciences, (1989), 101(5), 401-13, CAplus
I-Spectra iyatholakala
1H NMR
13C NMR
I-Hetero NMR
IR
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 1.0 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.83 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.56 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.67 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.68 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.65 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.37 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.16 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
| Impahla | Inani | Isimo | Umthombo |
| Koc | 12.6 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 70.1 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.12 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.70 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.85 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.86 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.87 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.86 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.81 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.50 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.24 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.89 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logP | 0.868±0.577 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 0.037 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.22 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.056 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.041 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.041 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.037 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.041 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.045 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.089 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.48 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 2.2 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Mass Solubility | 0.041 g/L | Amanzi Angakhiqiziwe pH 5.93; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.0 x 10-4 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 5.8 x 10-4 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.5 x 10-4 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-4 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-4 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.0 x 10-4 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-4 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.2 x 10-4 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.4 x 10-4 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.3 x 10-3 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 6.0 x 10-3 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.1 x 10-4 mol/L | Amanzi Angakhiqiziwe pH 5.93; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 371.35 | ||
| pKa | 7.87±0.43 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.70±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 217.3±7.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 6 | (1) ACD | |
| H Abamukelayo | 10 | (1) ACD | |
| H Abanikeli | 4 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 14 | (1) ACD | |
| logP | 0.868±0.577 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 371.35 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| Indawo ye-Polar Surface | 143 A2 | (1) ACD | |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
| Ikhodi | Isitatimende Sengozi | Umthombo |
| H333 | Ingase ibe yingozi uma ihogeliwe | Uchwepheshe Ukhethiwe |
| H303 | Ingase ibe yingozi uma igwinywe | Uchwepheshe Ukhethiwe |
| H302 | Iyingozi uma igwinywe | I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Isigaba esazisiwe kanye nokulebula - izaziso ezibucayi kakhulu |
Uhlu Lokulawula: REACH, TCSI
Ulwazi Lwebhizinisi Oluyimfihlo: Esidlangalaleni
| Omqondofana Okulawula | ||
| I-Adenosine, N-benzoyl- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | FIKA | - |
| I-N6-Benzoyladenosine | FIKA | - |
Imininingwane Yezwe/Amazwe Nolunye Uhlu Ulwazi Lwezwe/Isifunda Olutholakalayo
Isifinyezo se-European Union
Isimo Sokusungula Ku-REACH Uhlu Lwezinto Ezibhalisiwe
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Inombolo Yohlu Lokulawula EC No.: 610-251-3
Isifinyezo sase-Taiwan
Isimo Sokusungula ku-TCSI Uhulumeni waseTaiwan Ga
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