C17h17n5So5 Adenosine, N-Benzoyl- (7ci, 9Ci, ACI) H333, H303, H302
| Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
| Molecular hnyav | 371.35 | - |
| Melting taw tes (sim) | 152 ° C | - |
| Ntom ntom (kwv yees) | 1.70 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
| PKA (kwv yees) | 7.87 ± 0.43 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = NC1 = NC = NC2 = NC2 = CN2 = CN2C3OC (CE) C3O) C = 4C = CC = CC4
Isomeric smiles o [b @ h] 1 [k € (n2c = cc = cc = cc = cc = cc = cc = c.c)
Tus hauv onei
Inchi = 1s / c17h17n5o5 / c23-6-10-12 (18) 22) 21-16 (18) 9-4-4-5 / h1-5 /7-8,12-13,17, 23-25h, 6h2, (H, 18,19,11,26) / T10-, 12-, 13- / / M1 / S1
Inchi tus yuam sij
Nzdwtkfdauooda-cnemsgdsa-n
3 lwm lub npe rau cov khoom siv no
Benzamide, N- (9-β-d-ribofuranosyl-9h-purin-6-yl) - (8ci); N-benzoyladenosine (ACI); N6-Benzoyladenosine
| Cov khoom muaj |
| Thermal |
Thermal
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Melting taw tes | 152 ° C | (1) IC | |
(1) gopalakrishnan, vidhya; Cov Txheej Txheem Kev Tshawb Fawb - Indian Academemy, Tshuaj Sciences, (1989), 101 (51 (401-13, CAPPU
Spectra muaj
1h nmr
13C NMR
Hetero Nmr
IR
| Cov khoom muaj |
| Kev muaj txuj Ci |
| Tshuaj |
| Ceev |
| Ncauj lus di ncauj |
| Cov qauv muaj feem xyuam |
Kev muaj txuj Ci
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Bioconclivration qhov tseem ceeb | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.83 | PHA 2; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2.56 | PH 3; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2.67 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2.68 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2.65 | p.c; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2.37 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.16 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Tshuaj
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Txhim hoom | 12.6 | PH 1; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 48.2 | PHA 2; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 67.3 | PH 3; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 70.1 | PH 4; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 70.3 | PH 5; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 69.5 | p.c; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 62.2 | pH 7; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 30.5 | PH 8; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 5.54 | PH 9; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.22 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 0.12 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 0.70 | PHA 2; Temp: 25 ° C | (1) ACD |
| logd | 0.85 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 0.86 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 0.87 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 0.86 | p.c; Temp: 25 ° C | (1) ACD |
| logd | 0.81 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 0.50 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.24 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -0.89 | pH 10; Temp: 25 ° C | (1) ACD |
| lub cim | 0.868 ± 0.577 | Temp: 25 ° C | (1) ACD |
| Kev ua yeeb yam loj solubility solubility | 0.037 g / l | Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.22 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.056 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.041 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.041 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.037 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.041 g / l | p.c; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.045 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.089 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.48 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Loj solubility | 2.2 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Loj solubility | 0.041 g / l | Unbuffered dej p 5.93; Temp: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.0 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Raug solubility | 5.8 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.5 x 10-4 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.1 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.1 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.0 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.1 x 10-4 mol / l | p.c; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.2 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.4 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.3 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Raug solubility | 6.0 x 10-3 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.1 x 10-4 mol / l | Unbuffered dej p 5.93; Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 371.35 | ||
| pa kua muag | 7.87 ± 0.43 | Feem ntau acidic temp: 25 ° C | (1) ACD |
| pa kua muag | 1.39 ± 0.10 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ceev
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Ceev | 1.70 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
| Cov pob zeb ntim | 217.3 ± 4.0 CM3 / Mol | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ncauj lus di ncauj
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Dawb doatable bonds | 6 | (1) ACD | |
| H neeg txais | 10 | (1) ACD | |
| H pub dawb | 4 | (1) ACD | |
| H pub dawb / txais nyiaj | 14 | (1) ACD | |
| lub cim | 0.868 ± 0.577 | Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 371.35 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Cov qauv muaj feem xyuam
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Polar Thaj Chaw Thaj Chaw | 143 A2 | (1) ACD | |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1h nmr
13C NMR
| Txoj cai | Cov lus sib haum | Lub hauv paus |
| H333 | Tej zaum yuav tsim txom yog nqus tau | Kws muaj txuj ci yeej |
| H303 | Tej zaum yuav tsim kev puas tsuaj yog tias nqos | Kws muaj txuj ci yeej |
| H302 | Muaj teeb meem yog nqos | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
Cov Ntawv Kev Cai: ncav cuag, tcsi
Cov ntaub ntawv ua lag luam tsis pub lwm tus paub: Pej xeem
| Kev tswj cov lus qhuab qhia | ||
| Adenosine, n-benzoyl- | Ncav cuag, tcsi | - |
| N- {9 - [(2R, 4S, 5RSDREd-5- Dihydroxy-5- YL] oxolan-2-YL] -9h-purin-6-yl} benzamide | Ncav cuag | - |
| N6-Benzoyladenosine | Ncav cuag | - |
Cov ntsiab lus los ntawm lub teb chaws / thoob ntiaj teb & Lwm cov npe tebchaws / thaj av muaj
European Union Cov Ntsiab Lus
Cov Lus Nug Cov Ntaub Ntawv Nyob Rau Npe Sau Npe
https://echa.europa.eu/substance-_formformation/-/substanceinfo/100.132.658
Cov Ntawv Teev Npe Tus Kheej EC Tsis yog.: 610-251-3
Taiwan cov ntsiab lus
Cov lus nug cov xwm txheej ntawm TCSi TCSi TCSI tsoomfwv Ga
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