![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(N C(=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(3 8)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
![C39H37N5O7 Adenozîn, N-benzoîl-5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'- O-metîl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C38H49NO7 1- Pirrolîdinedodecanoic acid, 2- [[bis(4-methoxyphenyl)fenylm etoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O- (2-methoxyethyl)- 5-methyl-, 3' – [2-cyanoethyl N,N-bis (1-methylethyl) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C34H39N3O8 Cytidine, 5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'-O-(2-metoks yetîl)-5-metîl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl ) fosforamidît] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)