C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 371.35 | - |
| Meesha dhalaalaysa (Tijaabo) | 152 °C | - |
| Cufnaanta (La saadaaliyay) | 1.70±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 7.87±0.43 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
Isomeric SMILES 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)22-8-20-11-14(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
Furaha InChi
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Magacyo kale oo Walaxdan ah
Benzamide, N- (9-β-D-ribofuranosyl-9H-purin-6-yl) - (8CI); N-Benzoyladenosine (ACI); N6-Benzoyladenosine
| Guryaha la heli karo |
| Kulul |
Kulul
| Hanti | Qiimaha | Xaalad | Xigasho |
| Meesha dhalaalaysa | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya; Tallaabooyinka - Akademiyada Sayniska Hindiya, Sayniska Kiimikada, (1989), 101 (5), 401-13, CAplus
Spectra waa la heli karaa
1H NMR
13C NMR
Hetero NMR
IR
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.83 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.56 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.67 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.68 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.65 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.37 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.16 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 12.6 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logD | 0.12 | pH 1; Heerkulka: 25 °C | (1) ACD |
| logD | 0.70 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | 0.85 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | 0.86 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 0.87 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 0.86 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 0.81 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 0.50 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | -0.24 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | -0.89 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 0.868± 0.577 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 0.037 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.22 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.056 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.041 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.041 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.037 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.041 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.045 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.089 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.48 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 2.2 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Xalka tirada badan | 0.041 g/L | Biyaha aan la daboolin pH 5.93; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 1.0 x 10-4 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-4 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-4 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-4 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.2 x 10-4 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.4 x 10-4 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.0 x 10-3 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | Biyaha aan la daboolin pH 5.93; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 371.35 | ||
| pKa | 7.87±0.43 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.70±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 217.3 ± 7.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 6 | (1) ACD | |
| H Aqbalayaasha | 10 | (1) ACD | |
| H Deeq-bixiyayaasha | 4 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 14 | (1) ACD | |
| logP | 0.868± 0.577 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 371.35 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 143 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR
| Koodhka | Bayaanka Khatarta | Xigasho |
| H333 | Waxaa laga yaabaa inay waxyeello leedahay haddii la nuugo | Khabiir ayaa la qiimeeyay |
| H303 | Waxaa laga yaabaa inay waxyeelo leedahay haddii la liqo | Khabiir ayaa la qiimeeyay |
| H302 | Waxyeelo haddii la liqo | Wakaalladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala-saar Ogeysiis iyo calaamadeyn - ogaysiisyada ugu badan, Kala-soocidda Wakaaladda Kiimikada Yurub |
Liiska Xeerarka: REACH, TCSI
Xogta Ganacsiga Qarsoon: Dadweynaha
| Erayada la midka ah ee sharciyeynta | ||
| Adenosine, N-benzoyl- | GAAR, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | GAAR | - |
| N6-Benzoyladenosine | GAAR | - |
Faahfaahinta Dalka/Caalamiga & Liisaska Kale ee Dalka/Gobolka Macluumaadka La Heli karo
Soo koobida Midowga Yurub
Heerka Alaabta ee REACH Liiska Walxaha Diiwaangashan
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Liiska Nidaaminta Lambarka EC No.: 610-251-3
Soo koobida Taiwan
Heerka Alaabta ee TCSI Xukuumadda Taiwan Ga
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