C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 371.35 | - |
| Wurin narkewa (Gwaji) | 152 ° C | - |
| Girma (An annabta) | 1.70± 0.1 g/cm3 | Zazzabi: 20 ° C;Latsa: 760 Torr |
| pKa (An annabta) | 7.87± 0.43 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES 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
InChi Key
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Wasu Sunaye na wannan Abu
Benzamide, N- (9-β-D-ribofuranosyl-9H-purin-6-yl) - (8CI);N-Benzoyladenosine (ACI);N6-Benzoyladenosine
| Properties akwai |
| Thermal |
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Matsayin narkewa | 152 ° C | (1) IC | |
(1) Gopalakrishnan, Vidhya;Gabatarwa - Kwalejin Kimiyya ta Indiya, Kimiyyar Kimiyya, (1989), 101 (5), 401-13, CAplus
Spectra akwai
1H NMR
13C NMR
Farashin NMR
IR
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 1.0 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.83 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.56 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.67 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.68 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.65 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.37 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.16 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH 10;Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 12.6 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Koc | 48.2 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Koc | 67.3 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Koc | 70.1 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Koc | 70.3 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Koc | 69.5 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Koc | 62.2 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Koc | 30.5 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Koc | 5.54 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.22 | pH 10;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.12 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.70 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.85 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.86 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.87 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.86 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.81 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.50 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| logD | -0.24 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| logD | -0.89 | pH 10;Zazzabi: 25 ° C | (1) ACD |
| logP | 0.868± 0.577 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.037 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.22 g/L | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.056 g/L | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.041 g/L | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.041 g/L | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.037 g/L | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.041 g/L | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.045 g/L | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.089 g/L | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.48 g/L | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.2 g/L | pH 10;Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Mass Solubility | 0.041 g/L | Ruwan da ba a buƙata ba pH 5.93;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 1.0 x 10-4 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 5.8 x 10-4 mol/L | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.5 x 10-4 mol/L | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-4 mol/L | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-4 mol/L | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.0 x 10-4 mol/L | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-4 mol/L | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.2 x 10-4 mol/L | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.4 x 10-4 mol/L | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.3 x 10-3 mol/L | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.0 x 10-3 mol/L | pH 10;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-4 mol/L | Ruwan da ba a buƙata ba pH 5.93;Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 371.35 | ||
| pKa | 7.87± 0.43 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | 1.39± 0.10 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.70± 0.1 g/cm3 | Zazzabi: 20 ° C;Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 217.3± 7.0 cm3/mol | Zazzabi: 20 ° C;Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 6 | (1) ACD | |
| H Masu karɓa | 10 | (1) ACD | |
| H Masu Ba da taimako | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 0.868± 0.577 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 371.35 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 143 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
| Lambar | Bayanin Hazard | Source |
| H333 | Yana iya zama cutarwa idan an shaka | Kwararre Cuted |
| H303 | Yana iya zama illa idan an hadiye shi | Kwararre Cuted |
| H302 | Mai cutarwa idan an hadiye shi | Ƙididdiga & Lakabi na Ƙungiyar Turai (ECHA) Rarraba & Lakabi - Sanarwa Rabewa da Lakabi - sanarwar da aka fi sani, Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) Rarraba & Lakabin Lakabi - Faɗakarwa da lakabi - sanarwa mafi mahimmanci |
Lissafin Ma'aikata: REACH, TCSI
Bayanan Kasuwanci na Sirri: Jama'a
| Ma'anar Daidaitawa | ||
| Adenosine, N-benzoyl- | GASKIYA, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | ISA | - |
| N6-Benzoyladenosine | ISA | - |
Cikakkun bayanai ta Ƙasa/Ƙasashen Duniya & Sauran Bayanan Ƙasa/Yanki Akwai
Takaitaccen Tarihin Tarayyar Turai
Matsayin Inventory on REACH Jerin Abubuwan Abubuwan Rijista
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Lamba Lissafin Ka'idoji EC No.: 610-251-3
Takaitaccen tarihin Taiwan
Matsayin Inventory akan TCSI Gwamnatin Taiwan Ga
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