![C44H49N5O7Si Adenosine, N-benzoyl-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'- O-[(1,1-dimetîlethyl)dimetîlsilîl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)fenylmethyl]-2'- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI) Wêne Vebijêrk](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7Si Adenosine, N-benzoyl-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'- O-[(1,1-dimetîlethyl)dimetîlsilîl]- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 787.98 | - |
| Density (Pêşbîn kirin) | 1,23±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 7,87±0,43 | Germahiya herî asîdî: 25 °C |
SMILES 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
SMILES Îzomerî
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C= 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
InChI Key
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Navên din ên vê madeyê
N-Benzoyl-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'-O-[(1,1-dimetîlethyl)dimethylsilyl]adenosine (ACI);N6-Benzoyl-5'-O-(4,4'- dimetoksîtritîl)-2'-O-(tert-butildimethylsilyl)adenosine
Spectra heye
1H NMR
Hetero NMR
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 1,00 x 106 | pH 1;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 2;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 3;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 4;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 5;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 6;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 7;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 8;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 9;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 5,41 x 105 | pH 10;Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 2,01 x 106 | pH 1;Germ: 25 °C | (1) ACD |
| Koc | 6,87 x 106 | pH 2;Germ: 25 °C | (1) ACD |
| Koc | 9,08 x 106 | pH 3;Germ: 25 °C | (1) ACD |
| Koc | 9,38 x 106 | pH 4;Germ: 25 °C | (1) ACD |
| Koc | 9,39 x 106 | pH 5;Germ: 25 °C | (1) ACD |
| Koc | 9,19 x 106 | pH 6;Germ: 25 °C | (1) ACD |
| Koc | 7,53 x 106 | pH 7;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 2,73 x 106 | pH 8;Germ: 25 °C | (1) ACD |
| Koc | 4,48 x 105 | pH 9;Germ: 25 °C | (1) ACD |
| Koc | 1,31 x 105 | pH 10;Germ: 25 °C | (1) ACD |
| logD | 9.62 | pH 1;Germ: 25 °C | (1) ACD |
| logD | 10.15 | pH 2;Germ: 25 °C | (1) ACD |
| logD | 10.27 | pH 3;Germ: 25 °C | (1) ACD |
| logD | 10.29 | pH 4;Germ: 25 °C | (1) ACD |
| logD | 10.29 | pH 5;Germ: 25 °C | (1) ACD |
| logD | 10.28 | pH 6;Germ: 25 °C | (1) ACD |
| logD | 10.19 | pH 7;Germ: 25 °C | (1) ACD |
| logD | 9.75 | pH 8;Germ: 25 °C | (1) ACD |
| logD | 8.97 | pH 9;Germ: 25 °C | (1) ACD |
| logD | 8.43 | pH 10;Germ: 25 °C | (1) ACD |
| logP | 10.291±0.708 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 1,1 x 10-6 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,8 x 10-6 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,4 x 10-6 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 x 10-6 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,0 x 10-6 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,0 x 10-6 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,0 x 10-6 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-6 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,5 x 10-6 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,2 x 10-5 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,6 x 10-5 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-6 g/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,4 x 10-9 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,1 x 10-9 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,8 x 10-9 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-9 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-9 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-9 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 1,3 x 10-9 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-9 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,5 x 10-9 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,8 x 10-8 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 9,6 x 10-8 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-9 mol/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 787.98 | ||
| pKa | 7,87±0,43 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 1,39±0,10 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,23±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 639,5±7,0 cm3/mol | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 14 | (1) ACD | |
| H Qebûrker | 12 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 14 | (1) ACD | |
| logP | 10.291±0.708 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 787.98 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 139 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
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