C41H41N5O8 ADENSINE, N-BenzOyl-5'-O-'- BIS (2-Neach-obrach) - (2-Neach-obrach) - (9ci, ACI)
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 731.79 | - |
Puing leaghte (deuchainneach) | 119-121 ° C. | - |
Dùmhlachd (ro-innse) | 1.31 ± 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 = nc2 = cc = cc = cc = cc = c = cc = c = cc = c = cc = cc = c = cc = c = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc7
Gàire isomicic
C (OC [C @ Bree 1O [C @B] (CC = CC = CC = CC = cc = cc = cc = cc = cc = c (OC) c
= C6) c7 = cc = cc = c7
Inchi
Inchi = 1s / C41H41N5O8 / c1-49-22-23-32-38 (44-3-3-37 (44-2-4-4-4-4-27) 24-53- 41 (28-12-5-5-5-5-5-3-3-14-31 (50-2-31 (50-2-30-32 (51-3-30-32,4-3-32,4-2172,4-24H2, 4-24h3, (H, 42,43,45,48) / T33-, 35-, 36-, 40- / M1 / S1
Iuchair Inchi
Kevmxgndtkpsmc-mhumpvvassa-n
16 ainmean eile airson an stuth seo
N-beinnzoyl-5'-o- [bis (4-modh-d avylmynyl] -2'-o- (2-neach-breith) Adonosine (ACI); 17: PN: US20030211606 Duilleag: 19 seòrsa a-steach; 18: PN: US200400400400400400400400469 Duilleag: 22 nì a chaidh a thadha a-steach; 20: PN: US20040040040040006030 Duilleag: 23 sreath ag ràdh; 20: PN: US20040040014047 Page: 21 sreath air a ràdh a-steach; 20: PN: US20040040014049 Duilleag: 21 sreath air a ràdh a-steach; 21: PN: US20040040040005570 PAG
E: 20 sreath iarrteil; 21: PN: US20040040014048 Duilleag: 21 sreath air a ràdh a-steach; 21: PN: US20040040040014050 Duilleag: 20 t-ainm a-steach; 22: PN: US200400400400400400400400400455 Duilleag: 17- 22 a 'tagradh sreath; 22: PN: US2004004004051 Duilleag: 23 Angred seicence; 23: PN: US20040 014699 Duilleag: 20 Tagraidh sreath a-steach; 24: PN: US20040040040040040006029 Duilleag: 23 sreath a chaidh a thagradh; 24: PN: PN: WO0310106645445: 73 sreath a chaidh a thagradh; 5'-DimetothystryTrityl-2'-O- (2-Neach-obrach) -n6-benzoyl Adenosine; 95: PN: US20040040040040005707 Duilleag: 20 Tagraidh sreath
Togalaichean rim faighinn |
Thermal |
Thermal
Seilbh | Luach | Suidheachadh | Stòr |
Puing leaghaidh | 119-121 ° C. | (1) cas |
(1) Penjarla, srishylam; Nuceacan-omha-cheum & luchd-riaghailteach agus nccccicides, (2018), 37 (4), 232-247, caperlus
Spectra ri fhaighinn
1h nmr
13c nmr
Togalaichean rim faighinn |
Bith-eòlasach |
Ceimigeach |
Dùmhlachd |
Lipinski |
Structar co-cheangailte |
Bith-eòlasach
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 31700 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.08 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.43 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.48 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.48 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.45 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.19 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 43000 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 7050 | Ph 9; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 2060 | 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 | 37400 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 1.28 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 1.69 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 1.74 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 1.74 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 1.71 X 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 1.40 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
Koc | 50700 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 8320 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 2430 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | 6.44 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | 6.97 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | 7.09 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 7.11 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 7.11 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 7.10 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 7.01 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 6.57 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 5.78 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 5.25 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 7.109 ± 0.766 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 5.6 x 10-6 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 2.6 x 10-5 g / l | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 7.3 X 10-6 G / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.8 x 10-6 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.6 x 10-6 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.6 x 10-6 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.7 x 10-6 G / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 7.0 x 10-6 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solbuility mòr | 1.9 x 10-5 g / l | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.2 x 10-4 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.0 x 10-4 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 7.0 x 10-6 G / L | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 7.6 x 10-9 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 3.6 x 10-8 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.0 x 10-8 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.9 x 10-9 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.7 x 10-9 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.7 x 10-9 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.8 x 10-9 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 9.6 x 10-9 mol / l | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 2.6 x 10-8 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.6 x 10-7 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.5 x 10-7 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 9.5 x 10-9 Mol / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 731.79 | ||
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 | 1.31 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 556.9 ± 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 | 15 | (1) ACD | |
Hrrairean | 13 | (1) ACD | |
Hnors her | 2 | (1) ACD | |
H tabhartaiche / geurraiche suim | 15 | (1) ACD | |
Seilbh | Luach | Suidheachadh | Stòr |
logp | 7.109 ± 0.766 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 731.79 |
(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 | 148 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