![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) Umfanekiso okhoyo](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)
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 787.98 | - |
| Ukuxinana (Kuqikelelwe) | 1.23±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 7.87±0.43 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical
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=CC
Isomeric UNCUMA
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
Isitshixo se-InchI
I-DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Amanye Amagama ale nto
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
ISpectra ekhoyo
1H NMR
Hetero NMR
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo olunxulumeneyo |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 1.00 x 106 | pH 1; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 2; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 3; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 4; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 5; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 6; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 7; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 8; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 9; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 5.41 x 105 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 2.01 x 106 | pH 1; Ubushushu: 25 °C | (1) ACD |
| Koc | 6.87 x 106 | pH 2; Ubushushu: 25 °C | (1) ACD |
| Koc | 9.08 x 106 | pH 3; Ubushushu: 25 °C | (1) ACD |
| Koc | 9.38 x 106 | pH 4; Ubushushu: 25 °C | (1) ACD |
| Koc | 9.39 x 106 | pH 5; Ubushushu: 25 °C | (1) ACD |
| Koc | 9.19 x 106 | pH 6; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.53 x 106 | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 2.73 x 106 | pH 8; Ubushushu: 25 °C | (1) ACD |
| Koc | 4.48 x 105 | pH 9; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.31 x 105 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logD | 9.62 | pH 1; Ubushushu: 25 °C | (1) ACD |
| logD | 10.15 | pH 2; Ubushushu: 25 °C | (1) ACD |
| logD | 10.27 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | 10.29 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | 10.29 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | 10.28 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | 10.19 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | 9.75 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | 8.97 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | 8.43 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | 10.291±0.708 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 1.1 x 10-6 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.8 x 10-6 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.4 x 10-6 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.1 x 10-6 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.0 x 10-6 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.0 x 10-6 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.0 x 10-6 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.3 x 10-6 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.5 x 10-6 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 2.2 x 10-5 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 7.6 x 10-5 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.3 x 10-6 g/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.4 x 10-9 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 6.1 x 10-9 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.8 x 10-9 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.4 x 10-9 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.3 x 10-9 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.3 x 10-9 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kweMolar | 1.3 x 10-9 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.6 x 10-9 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 4.5 x 10-9 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.8 x 10-8 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 9.6 x 10-8 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.6 x 10-9 mol/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 787.98 | ||
| pKa | 7.87±0.43 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukuxinana | 1.23±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 639.5±7.0 cm3/mol | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 14 | (1) ACD | |
| H Abamkeli | 12 | (1) ACD | |
| H Abaxhasi | 2 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 14 | (1) ACD | |
| logP | 10.291±0.708 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 787.98 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo olunxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 139 A2 | (1) ACD | |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
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![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)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
