C17H17N5O5 ADENOSINE, N - Ben Benszol- (7ci, 9ci, ACI) H333, H303, H303
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 371.35 | - |
| Puing leaghte (deuchainneach) | 152 ° C. | - |
| Dùmhlachd (ro-innse) | 1.70 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c (nc1 = nc = nc = nc2 = cn2c3oc (CO) c (O) c = 4c = cc = cc = cc4
Tha Isomeric a 'gàireachdainn o [c @ 17 [C @2c = 3c (nc = cc = cc3) {cc = cc3) O. CC3) OM (CO @ hree [c @ har
Inchi
Inchi = 1s / c17H17N5O5 / c23-6-10-12 (24) 17-8-5-5-5-5-5-8,7-8,7-8,17,17, 23-25h, 6H2, (H, 18,21,21,26) / T10-, 12-, 13- / m1 / s1
Iuchair Inchi
Nzdwtkfdauoododa-cnemmedsa-n
3 ainmean eile airson an stuth seo
Benzamide, N- (9-β-D-Ribofuranyl-9h-Pursin-6-YL) - (8ci); N-beinnzoyladesine (ACI); N6-benzoyladesine
| Togalaichean rim faighinn |
| Thermal |
Thermal
| Seilbh | Luach | Suidheachadh | Stòr |
| Puing leaghaidh | 152 ° C. | (1) IC | |
(1) Gopalakrishnan, Vidhinneea; Imeachdan - Acadamaidh nan Saidheansan, saidheansan ceimigeach, (1989), 101 (5), 401-13, caperlus
Spectra ri fhaighinn
1h nmr
13c nmr
Hetero nmr
IR
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.83 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.56 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.67 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.68 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.65 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.37 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.16 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Koc | 12.6 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 48.2 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 67.3 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 70.1 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 70.3 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 69.5 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 62.2 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Koc | 30.5 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Koc | 5.54 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 1.22 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 0.12 | Ph 1; Temp: 25 ° C. | (1) ACD |
| logd | 0.70 | Ph 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 | Ph 6; 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 |
| logp | 0.868 ± 0.577 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 0.037 G / L | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.22 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.056 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.041 g / l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.041 g / l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.037 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.041 g / l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.045 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.089 g / l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.48 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 2.2 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solbuility mòr | 0.041 g / l | Uisge neo-leasaichte pH 5.93; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 1.0 x 10-4 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 5.8 x 10-4 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.5 x 10-4 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-4 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-4 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.0 x 10-4 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-4 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.2 x 10-4 mol / l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.4 x 10-4 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.3 x 10-3 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.0 x 10-3 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-4 Mol / L. | Uisge neo-leasaichte pH 5.93; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 371.35 | ||
| paka | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | 1.39 ± 0.10 | Temp as bunaitiche: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Dùmhlachd
| Seilbh | Luach | Suidheachadh | Stòr |
| Dùmhlachd | 1.70 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 217.3 ± 7.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 6 | (1) ACD | |
| Hrrairean | 10 | (1) ACD | |
| Hnors her | 4 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 14 | (1) ACD | |
| logp | 0.868 ± 0.577 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 371.35 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon uachdar pòla | 143 A2 | (1) ACD | |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1h nmr
13c nmr
| Còd | Aithris cunnart | Stòr |
| H333 | Faodaidh iad a bhith cronail ma tha iad air an toirt a-steach | Eòlaiche air a ghlèidheadh |
| H303 | Faodaidh e a bhith cronail ma tha thu a 'slugadh | Eòlaiche air a ghlèidheadh |
| H302 | Cronail ma tha thu air a shlugadh | Buidheann Buidheann-cheist Eòrpach (Echa) Clàraidh Clàraidh & Labeling Seòrsachadh agus Labeling - Clàr-taic Buidheann Cheamigeach Eòrpach (Echa) Seòrsachadh agus Labeling - a 'mhòr-chuid de dh' aithrisean as miosa |
Liosta riaghlaidh: Ruig, TCSI
Fiosrachadh Gnothachais Dìomhaireachd: Poblach
| Synonyms riaghlaidh | ||
| Adenosine, N-Ben Benzoily- | Ruig, TCSI | - |
| Neo- {9 - [(2R, 3r, 5r, 5r) -3,4-dihydroxe-5- (hydrocym-pursin-6-YL} Benzamide | REACH | - |
| N6-benzoyladesine | REACH | - |
Fiosrachadh le dùthaich / liosta eadar-nàiseanta & liostaichean eadar-nàiseanta / sgìre ri fhaighinn
Geàrr-chunntas an Aonaidh Eòrpaich
Inbhe clàraidh air liosta ruighinn de stuthan clàraichte
https://echoa.europa.eu/substStrance-inpormation/-/substidcetinfo/100.132.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652.652
Liosta riaghlaidh Àireamh EC no .: 610-251-3
Geàrr-chunntas Taiwan
Inbhe clàraidh air Riaghaltas TCSI Taiwan G.a
![C50h58N7o9p Adenosine, N-Ben Bensine-5 '-AO--Neach-obrach (O--leas-neach-freagairt) Posphorondnachte] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
