![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) 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-methoxyphenyl) phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI) Sawirka](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 787.98 | - |
| Cufnaanta (La saadaaliyay) | 1.23±0.1 g/cm3 | Heerkulka: 20 °C;Riix: 760 Torr |
| pKa (La saadaaliyay) | 7.87±0.43 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
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)C3O[Si](C)(C)C(C)(C)C)C=7C=CC= CC7
Dhoola-caddeyn
C (OC[C@H]1O[C@H]([C@H] (O[Si](C 3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C= C6)C7=CC=CC=C7
InChi
InChi=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(38)49-28-47-36-39(45-27-) 46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31 -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
Furaha InChi
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Magacyo kale oo Walaxdan ah
N-Benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI);N6-Benzoyl-5′-O- (4,4′- dimetoxytrityl)-2′-O-(tert-butyldimethylsilyl)adenosine
Spectra waa la heli karaa
1H NMR
Hetero NMR
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 1.00 x 106 | pH 1;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 2;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 3;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 4;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 5;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 6;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 7;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 8;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 9;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 5.41 x 105 | pH 10;Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 2.01 x 106 | pH 1;Heerkulka: 25 °C | (1) ACD |
| Koc | 6.87 x 106 | pH 2;Heerkulka: 25 °C | (1) ACD |
| Koc | 9.08 x 106 | pH 3;Heerkulka: 25 °C | (1) ACD |
| Koc | 9.38 x 106 | pH 4;Heerkulka: 25 °C | (1) ACD |
| Koc | 9.39 x 106 | pH 5;Heerkulka: 25 °C | (1) ACD |
| Koc | 9.19 x 106 | pH 6;Heerkulka: 25 °C | (1) ACD |
| Koc | 7.53 x 106 | pH 7;Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 2.73 x 106 | pH 8;Heerkulka: 25 °C | (1) ACD |
| Koc | 4.48 x 105 | pH 9;Heerkulka: 25 °C | (1) ACD |
| Koc | 1.31 x 105 | pH 10;Heerkulka: 25 °C | (1) ACD |
| logD | 9.62 | pH 1;Heerkulka: 25 °C | (1) ACD |
| logD | 10.15 | pH 2;Heerkulka: 25 °C | (1) ACD |
| logD | 10.27 | pH 3;Heerkulka: 25 °C | (1) ACD |
| logD | 10.29 | pH 4;Heerkulka: 25 °C | (1) ACD |
| logD | 10.29 | pH 5;Heerkulka: 25 °C | (1) ACD |
| logD | 10.28 | pH 6;Heerkulka: 25 °C | (1) ACD |
| logD | 10.19 | pH 7;Heerkulka: 25 °C | (1) ACD |
| logD | 9.75 | pH 8;Heerkulka: 25 °C | (1) ACD |
| logD | 8.97 | pH 9;Heerkulka: 25 °C | (1) ACD |
| logD | 8.43 | pH 10;Heerkulka: 25 °C | (1) ACD |
| logP | 10.291± 0.708 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 1.1 x 10-6 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.8 x 10-6 g/L | pH 1;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.4 x 10-6 g/L | pH 2;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.1 x 10-6 g/L | pH 3;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.0 x 10-6 g/L | pH 4;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.0 x 10-6 g/L | pH 5;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.0 x 10-6 g/L | pH 6;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.3 x 10-6 g/L | pH 7;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.5 x 10-6 g/L | pH 8;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 2.2 x 10-5 g/L | pH 9;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 7.6 x 10-5 g/L | pH 10;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.3 x 10-6 g/L | Biyaha aan la daboolin pH 7.00;Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 1.4 x 10-9 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.1 x 10-9 mol/L | pH 1;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-9 mol/L | pH 2;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-9 mol/L | pH 3;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 4;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 5;Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 6;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-9 mol/L | pH 7;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 4.5 x 10-9 mol/L | pH 8;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.8 x 10-8 mol/L | pH 9;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 9.6 x 10-8 mol/L | pH 10;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-9 mol/L | Biyaha aan la daboolin pH 7.00;Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 787.98 | ||
| pKa | 7.87±0.43 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.23±0.1 g/cm3 | Heerkulka: 20 °C;Riix: 760 Torr | (1) ACD |
| Mugga Molar | 639.5 ± 7.0 cm3 / mol | Heerkulka: 20 °C;Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 14 | (1) ACD | |
| H Aqbalayaasha | 12 | (1) ACD | |
| H Deeq-bixiyayaasha | 2 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 14 | (1) ACD | |
| logP | 10.291± 0.708 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 787.98 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 139 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR
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