![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) Ihe onyonyo egosipụtara](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)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 787.98 | - |
| Njupụta (buru amụma) | 1.23±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị 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
Isomeric SMILES
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
Igodo InChi
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Aha ndị ọzọ maka ihe a
N-Benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI); N6-Benzoyl-5′-O- (4,4′- dimethoxytrityl)-2′-O-(tert-butyldimethylsilyl)adenosine.
Spectra dị
1H NMR
Hetero NMR
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 5,41 x 105 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 2.01 x 106 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6,87 x 106 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 9,08 x 106 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 9,38 x 106 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 9,39 x 106 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 9,19 x 106 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,53 x 106 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 2,73 x 106 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 4,48 x 105 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.31 x 105 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9.62 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 10.15 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 10.27 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 10.29 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 10.29 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 10.28 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 10.19 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9,75 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.97 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.43 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 10.291± 0.708 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 1.1 x 10-6 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.8 x 10-6 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.4 x 10-6 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.1 x 10-6 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.0 x 10-6 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.0 x 10-6 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.0 x 10-6 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-6 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.5 x 10-6 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.2 x 10-5 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 7.6 x 10-5 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-6 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.4 x 10-9 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.1 x 10-9 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.8 x 10-9 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-9 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.6 x 10-9 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.5 x 10-9 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.8 x 10-8 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 9.6 x 10-8 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.6 x 10-9 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 787.98 | ||
| pKa | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 1.39± 0.10 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.23±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 639.5±7.0 cm3/mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 14 | (1) ACD | |
| H Ndị nnabata | 12 | (1) ACD | |
| H Ndị na-enye onyinye | 2 | (1) ACD | |
| H Donor/Anabata Nchikota | 14 | (1) ACD | |
| logP | 10.291± 0.708 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 787.98 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 139 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2S,4R) - (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′′ - [2-cyanoethyl N, N-bis (1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C50H60N5O10P Cytidine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) – 5-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox ethyl) -5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O- (2-methoxyethyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramite] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)