![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) Isithombe Esifakiwe](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)
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 787.98 | - |
| Ukuminyana (Kubikezelwe) | 1.23±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 7.87±0.43 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical SMILES
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
I-Isomeric 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(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C= C6)C7=CC=CC=C7
I-InChI
I-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
Ukhiye we-InchI
I-DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Amanye Amagama Alesi Sitho
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine (ACI); I-N6-Benzoyl-5′-O-(4,4′- dimethoxytrityl)-2′-O-(tert-butyldimethylsilyl)adenosine
I-Spectra iyatholakala
1H NMR
I-Hetero NMR
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 1.00 x 106 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 5.41 x 105 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
| Impahla | Inani | Isimo | Umthombo |
| Koc | 2.01 x 106 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 6.87 x 106 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 9.08 x 106 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 9.38 x 106 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 9.39 x 106 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 9.19 x 106 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.53 x 106 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| Koc | 2.73 x 106 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 4.48 x 105 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.31 x 105 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 9.62 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 10.15 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 10.27 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 10.29 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 10.29 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 10.28 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 10.19 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 9.75 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.97 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.43 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logP | 10.291±0.708 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 1.1 x 10-6 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.8 x 10-6 g/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.4 x 10-6 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.1 x 10-6 g/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.0 x 10-6 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.0 x 10-6 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.0 x 10-6 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.3 x 10-6 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 3.5 x 10-6 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 2.2 x 10-5 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 7.6 x 10-5 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.3 x 10-6 g/L | Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.4 x 10-9 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 6.1 x 10-9 mol/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.8 x 10-9 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.4 x 10-9 mol/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.3 x 10-9 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.3 x 10-9 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Molar Solubility | 1.3 x 10-9 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.6 x 10-9 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 4.5 x 10-9 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.8 x 10-8 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 9.6 x 10-8 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.6 x 10-9 mol/L | Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 787.98 | ||
| pKa | 7.87±0.43 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.23±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 639.5±7.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 14 | (1) ACD | |
| H Abamukelayo | 12 | (1) ACD | |
| H Abanikeli | 2 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 14 | (1) ACD | |
| logP | 10.291±0.708 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 787.98 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| Indawo ye-Polar Surface | 139 A2 | (1) ACD | |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
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