![C41H41N5O8 Adenosine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'- o- (2-methoxyethyl)-(9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'- o- (2-methoxyethyl)-(9Ci, ACI) Delwedd dan sylw dan sylw](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'- o- (2-methoxyethyl)-(9ci, aci)
| Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
| Pwysau moleciwlaidd | 731.79 | - |
| Toddi (arbrofol) | 119-121 ° C. | - |
| Dwysedd (a ragwelir) | 1.31 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
| PKA (a ragwelir) | 7.87 ± 0.43 | Mwyaf Temp Asidig: 25 ° C. |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C=7C=CC=CC7
Gwenau isomerig
C (OC [C@H] 1O [C@H] ([C@H] (occoc) [c @@ h] 1o) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = cc = c4) n = cn3) (c5 = cc) = c = c (oc) = c
= C6) C7 = CC = CC = C7
Inchi
Inchi = 1S/C41H41N5O8/C1-49-22-23-52-36-35 (47) 33 (54-40 (36) 46-26-44-34-37 (42-25-43-38 (34) 45-4) 45-439 (46) 45-439 (46) 45- 41 (28-12-8-5-9-13-28,29-14-18-31 (50-2) 19-15-29) 30-16-20-32 (51-3) 21-17-30/H4-21,25-26,33,33,35-36,40,47H, 22-24H3, 22-3H3, 22-24H3, 22-3H3, 22-24H3, 22-24H3, 22-24H3, 22-24H3, 22-24H3H3, 22-24H2 (H, 42,43,45,48)/t33-, 35-, 36-, 40-/m1/s1
Allwedd inchi
Kevmxgndtkpsmc-mumpvvmasa-n
16 ENW arall ar gyfer y sylwedd hwn
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) adenosine (ACI); 17: PN: US20030211606 Tudalen: 19 dilyniant honedig; 18: PN: US20040005569 Tudalen: 22 Dilyniant honedig; 20: PN: US20040006030 Tudalen: 23 Dilyniant honedig; 20: PN: US20040014047 Tudalen: 21 Dilyniant honedig; 20: PN: US20040014049 Tudalen: 21 Dilyniant honedig; 21: PN: US20040005570 PAG
E: 20 Dilyniant honedig; 21: PN: US20040014048 Tudalen: 21 Dilyniant honedig; 21: PN: US20040014050 Tudalen: 20 dilyniant honedig; 22: PN: US20040005565 Tudalen: 17-22 Dilyniant honedig; 22: PN: US20040014051 Tudalen: 23 dilyniant honedig; 23: PN: US20040 014699 Tudalen: 20 dilyniant honedig; 24: PN: US20040006029 Tudalen: 23 dilyniant honedig; 24: PN: WO03106645 Tudalen: 73 Dilyniant Hawliedig; 5'-dimethoxytrityl-2'-o- (2-methoxyethyl) -n6-benzoyl adenosine; 95: PN: US20040005707 Tudalen: 20 dilyniant honedig
| Eiddo ar gael |
| Thermol |
Thermol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Pwynt toddi | 119-121 ° C. | (1) CAS | |
(1) Penjarla, Srishylam; Niwcleosidau, niwcleotidau ac asidau niwcleig, (2018), 37 (4), 232-247, Caplus
Sbectra ar gael
1h nmr
13c nmr
| Eiddo ar gael |
| Biolegol |
| Gemegol |
| Ddwysedd |
| Lipinski |
| Strwythur yn gysylltiedig |
Biolegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ffactor Bio -ganolbwynt | 31700 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.08 x 105 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.43 x 105 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.48 x 105 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.48 x 105 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.45 x 105 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.19 x 105 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 43000 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 7050 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ffactor Bio -ganolbwynt | 2060 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Gemegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| 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 |
| log | 6.44 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| log | 6.97 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| log | 7.09 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| log | 7.11 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| log | 7.11 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| log | 7.10 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| log | 7.01 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| log | 6.57 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| log | 5.78 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| log | 5.25 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| logio | 7.109 ± 0.766 | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid torfol | 5.6 x 10-6 g/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 2.6 x 10-5 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 7.3 x 10-6 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 5.8 x 10-6 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 5.6 x 10-6 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 5.6 x 10-6 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 5.7 x 10-6 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 7.0 x 10-6 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Hydoddedd torfol | 1.9 x 10-5 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 1.2 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 4.0 x 10-4 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 7.0 x 10-6 g/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid molar | 7.6 x 10-9 mol/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 3.6 x 10-8 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.0 x 10-8 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 7.9 x 10-9 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 7.7 x 10-9 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 7.7 x 10-9 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 7.8 x 10-9 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 9.6 x 10-9 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 2.6 x 10-8 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.6 x 10-7 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 5.5 x 10-7 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 9.5 x 10-9 mol/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 731.79 | ||
| PKA | 7.87 ± 0.43 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
| PKA | 1.39 ± 0.10 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Ddwysedd
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ddwysedd | 1.31 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
| Cyfaint molar | 556.9 ± 7.0 cm3/mol | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Bondiau rotatable yn rhydd | 15 | (1) ACD | |
| H Derbynyddion | 13 | (1) ACD | |
| H rhoddwyr | 2 | (1) ACD | |
| H rhoddwr/derbynnydd swm | 15 | (1) ACD | |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| logio | 7.109 ± 0.766 | TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 731.79 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Strwythur yn gysylltiedig
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Arwynebedd pegynol | 148 A2 | (1) ACD | |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1h nmr
13c nmr
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