![C44H49N5O7Si Adenosin, N-benzoil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′- O-[(1,1-dimetil)dimetilsilil]- (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) Featured Image](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7Si Adenosin, N-benzoil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′- O-[(1,1-dimetil)dimetilsilil]- (9CI, ACI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 787.98 | - |
| Kapadhetan (Prediksi) | 1,23±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 7,87±0,43 | Suhu Paling Asam: 25 °C |
SMILES kanonik
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
Isomerik SMILES
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
IngChI
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
Kunci Inchi
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Jeneng Liyane kanggo Zat iki
N-Benzoil-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine (ACI); N6-Benzoil-5′-O-(4,4′- dimethoxytrityl)-2′-O-(tert-butyldimethylsilyl)adenosin
Spectra kasedhiya
1H NMR
Hetero NMR
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
biologi
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 1,00 x 106 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 5,41 x 105 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | Sumber |
| Koc | 2,01 x 106 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 6,87 x 106 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 9,08 x 106 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 9,38 x 106 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 9,39 x 106 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 9.19 x 106 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 7,53 x 106 | pH 7; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Koc | 2,73 x 106 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 4,48 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1,31 x 105 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 9.62 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 10.15 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 10.27 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 10.29 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 10.29 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 10.28 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 10.19 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 9.75 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 8.97 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 8.43 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 10,291±0,708 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 1,1 x 10-6 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,8 x 10-6 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,4 x 10-6 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 x 10-6 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,0 x 10-6 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,0 x 10-6 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,0 x 10-6 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,3 x 10-6 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-6 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 2,2 x 10-5 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 7,6 x 10-5 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,3 x 10-6 g/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,4 x 10-9 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 6,1 x 10-9 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,8 x 10-9 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,4 x 10-9 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-9 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-9 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 1,3 x 10-9 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,6 x 10-9 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,5 x 10-9 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,8 x 10-8 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 9,6 x 10-8 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,6 x 10-9 mol/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 787.98 | ||
| pKa | 7,87±0,43 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,23±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 639,5±7,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 14 | (1) ACD | |
| H. Akseptor | 12 | (1) ACD | |
| H. Donor | 2 | (1) ACD | |
| H Jumlah Donor / Akseptor | 14 | (1) ACD | |
| logP | 10,291±0,708 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 787.98 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 139 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
![C39H37N5O7 Adenosin, N-benzoil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′- O-metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C38H49NO7 1- Asam pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)fenyl ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C53H66N7O8PSi NO CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)fenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1- metiletil)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C50H60N5O10P Sitidin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- (2-metoksietil)- 5-metil-, 3′ – [2-sianoetil N,N-bis (1-metiletil) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C34H39N3O8 Sitidin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-metoxyphenyl)fenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)