C44H49n5No7si Adenosine, N-Benzoic-5'-o-'- O--daim-daimphendyl] Dimhylsilyl] - (9ci, ACI)
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 787.98 | - |
Dùmhlachd (ro-innse) | 1.23 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
paka (ro-innse) | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
O = c (NC1 = NC = NC = NC2 = cc = cc = cc = cc = cc = cc = c (cC = cc = cc = c (c) (c) C = c) (c) cc = cc = cc = cc = cc = cc = cc = CC7
Gàire isomicic
C (OC [c @ h har [c @ h hree ([c (C (C) (C (N = c2) = c (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n (n C (= o) c4 = cc = cc = c4) n = cn3) (cc = c (OC) C = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c
Inchi
Inchi = 1s / C44h49N5O7si / C4-43 (2,7-47-43 (51) 28-41-10-8-8-8-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2 9) 26-54-44 (30-16-12-30-17-30,31-2-33 (52-32,3H2,50h, 26mh-2,1h2,1-7H3, (H,
45,46,48,51) / T35-, 37-, 38-, 42- / M1 / S1
Iuchair Inchi
Dazigopasnjpcj-Gnecsjiwssa-n
2 ainm eile airson an stuth seo
N-beinnzoyl-5'-o- [bis (4-modh-obrach) -2'-o - [(1,1-daimosylilyl] Adonosine (ACI); N6-benzoicyl-5'-o- (4,4'- DimEthoxyTrityl) -2'- o- (Tert-Butytheryliline
Spectra ri fhaighinn
1h nmr
Hetero nmr
Togalaichean rim faighinn |
Bith-eòlasach |
Ceimigeach |
Dùmhlachd |
Lipinski |
Structar co-cheangailte |
Bith-eòlasach
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 5.41 x 105 | 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 | 2.01 x 106 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 6.87 x 106 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 9.08 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 9.38 x 106 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 9.39 x 106 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 9.19 x 106 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 7.53 X 106 | Ph 7; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 2.73 X 106 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 4.48 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 1.31 x 105 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | 9.62 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | 10.15 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | 10.27 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 10.29 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 10.29 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 10.28 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 10.19 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 9.75 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 8.97 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 8.43 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 10.291 ± 0.708 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 1.1 x 10-6 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.8 x 10-6 G / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.4 x 10-6 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.1 x 10-6 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.0 x 10-6 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.0 x 10-6 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.0 x 10-6 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.3 X 10-6 G / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.5 x 10-6 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 2.2 x 10-5 g / l | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 7.6 x 10-5 g / l | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.3 X 10-6 G / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 1.4 x 10-9 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 6.1 x 10-9 mol / l | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.8 x 10-9 mol / l | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.4 x 10-9 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.3 x 10-9 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.3 x 10-9 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solubility molar | 1.3 x 10-9 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.6 x 10-9 Mol / l | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 4.5 x 10-9 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 2.8 x 10-8 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 9.6 x 10-8 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.6 x 10-9 Mol / l | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 787.98 | ||
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 | 1.23 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 639.5 ± 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 | 14 | (1) ACD | |
Hrrairean | 12 | (1) ACD | |
Hnors her | 2 | (1) ACD | |
H tabhartaiche / geurraiche suim | 14 | (1) ACD | |
logp | 10.291 ± 0.708 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 787.98 |
(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 | 139 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