C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 371.35 | - |
| Melting Point (Teko) | 152 °C | - |
| Boima (bo boletsoeng esale pele) | 1.70±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 7.87±0.43 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososelo tsa Canonical 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
Senotlolo sa InChi
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Mabitso a Mang a Ntho ena
Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI); N-Benzoyladenosine (ACI); N6-Benzoyladenosine
| Thepa e teng |
| Mocheso |
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Melting Point | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya; Ts'ebetso - Indian Academy of Sciences, Chemical Sciences, (1989), 101(5), 401-13, CAplus
Spectra e fumaneha
1H NMR
13C NMR
Hetero NMR
IR
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 1.0 | pH 1; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.83 | pH 2; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.56 | pH 3; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.67 | pH 4; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.68 | pH 5; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.65 | pH 6; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.37 | pH 7; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.16 | pH 8; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 12.6 | pH 1; Mocheso: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2; Mocheso: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3; Mocheso: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4; Mocheso: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5; Mocheso: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6; Mocheso: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7; Mocheso: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8; Mocheso: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9; Mocheso: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10; Mocheso: 25 °C | (1) ACD |
| logD | 0.12 | pH 1; Mocheso: 25 °C | (1) ACD |
| logD | 0.70 | pH 2; Mocheso: 25 °C | (1) ACD |
| logD | 0.85 | pH 3; Mocheso: 25 °C | (1) ACD |
| logD | 0.86 | pH 4; Mocheso: 25 °C | (1) ACD |
| logD | 0.87 | pH 5; Mocheso: 25 °C | (1) ACD |
| logD | 0.86 | pH 6; Mocheso: 25 °C | (1) ACD |
| logD | 0.81 | pH 7; Mocheso: 25 °C | (1) ACD |
| logD | 0.50 | pH 8; Mocheso: 25 °C | (1) ACD |
| logD | -0.24 | pH 9; Mocheso: 25 °C | (1) ACD |
| logD | -0.89 | pH 10; Mocheso: 25 °C | (1) ACD |
| logP | 0.868±0.577 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 0.037 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.22 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.056 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.041 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.041 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.037 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.041 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.045 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.089 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.48 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 2.2 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Ho qhibiliha ka bongata | 0.041 g/L | Metsi a sa tsitsang pH 5.93; Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.0 x 10-4 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 5.8 x 10-4 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-4 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.0 x 10-4 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.2 x 10-4 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.4 x 10-4 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 6.0 x 10-3 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | Metsi a sa tsitsang pH 5.93; Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 371.35 | ||
| pKa | 7.87±0.43 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
| Thepa | Boleng | Boemo | Mohloli |
| Botenya | 1.70±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 217.3±7.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Thepa | Boleng | Boemo | Mohloli |
| Li-Bonds tse ka fetolehang ka bolokolohi | 6 | (1) ACD | |
| H Ba amohelang | 10 | (1) ACD | |
| H Bafani | 4 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 14 | (1) ACD | |
| logP | 0.868±0.577 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 371.35 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa Polar Surface | 143 A2 | (1) ACD | |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
| Khoutu | Polelo ea Kotsi | Mohloli |
| H333 | E ka ba kotsi ha e hema | Setsebi Curated |
| H303 | E ka ba kotsi haeba e koetsoe | Setsebi Curated |
| H302 | E kotsi haeba e koetsoe | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
Lethathamo la Taolo: REACH, TCSI
Boitsebiso ba Lekunutu ba Khoebo: Bohle
| Regulatory Synonyms | ||
| Adenosine, N-benzoyl- | FIHLELA, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | FINYELLANG | - |
| N6-Benzoyladenosine | FINYELLANG | - |
Lintlha ka Naha/Machabeng & Manane a Mang a Naha/Sebaka Litaba Tse Fumanehang
Kakaretso ea European Union
Boemo ba Inventory on REACH Lethathamo la Lintho Tse Ngolisitsoeng
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Nomoro ea Lethathamo la Taolo ea EC No.: 610-251-3
Kakaretso ea Taiwan
Boemo ba Lethathamo ho TCSI Mmuso oa Taiwan Ga
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