![C44H49N5o7Si adenosine, n-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'- o - [(1,1-dimethylethyl) dimethylsilyl] - (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44h49n5o7si adenosine, n-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'- o - [(1,1-dimethylethyl) dimethylsilyl] - (9ci, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5o7Si adenosine, n-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'- o - [(1,1-dimethylethyl) dimethylsilyl] - (9ci, ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 787.98 | - |
| Dendik (texmîn kirin) | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 7.87 ± 0.43 | Temana herî acid: 25 ° C |
Hespên Canonîkî
O = c (nc1 = nc = nc2 = c1n = cn2c3oc (coc (c = cc = c = c5) c6 = c5) (c) (c) (c) c) c = 7c = cc = cc7
Isomeric bişirîn
C (OC [C @ H] 1o [C @ H] ([C @ h] (O [) (C) (c) (c) 1o) n2c = 3c (n = c2) = c (n C (= o) c4 = cc = cc = c4) n = cn3) (oc = cc = c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
Inchi = 1s / c44h49n5o7si / C1-43 (2,7) 56-38-37 (50) 35 (45-42 (38) 49-49 (45-47-40 (36) 49) 48-41 (51) 29-14-10-8-11-15-2 9) 26-14-44 (30-16-12-31-18-22-33 (52-4) 23-19-31) 32-20-24-34 (53-5) 25-21-32 / H8-25,27-28,35,37-38,42,50h, 26h2,1-7h3, (H,
45,46,48,51) / T35-, 37-, 38-, 42- / M1 / S1
Keyeya Inchi
DazigoPasnjpcj-gnecsjiWsa-n
2 navên din ên ji bo vê madeyê
N-benzoyl-5'-o- [bis (4-metoxyphenyl) phenylmethyl] -2'-o - [(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI); N6-Benzoyl-5'-O- (4,4'- DimethOxyRityl) -2'-o- (Tert-butyldimethylsilyl) Adenosine
Spectra peyda dibe
1h nmr
Hetero nmr
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 1.00 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 5.41 x 105 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| 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 |
| Mal | Giranî | Rewş | Kanî |
| 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 |
| Solubilityê dorpêçkirî ya girseyî | 1.1 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.8 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.4 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.1 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.0 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.0 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.0 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.5 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 7.6 X 10-5 G / L | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-6 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a 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 |
| Mal | Giranî | Rewş | Kanî |
| 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 | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 787.98 | ||
| pka | 7.87 ± 0.43 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 1.39 ± 0.10 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 639.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 14 | (1) ACD | |
| H qebûlkar | 12 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qedexe | 14 | (1) ACD | |
| logp | 10.291 ± 0.708 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 787.98 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 139 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
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