![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- imethylethyl)phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.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)phosphoramidite] (ACI) Umfanekiso obonakalayo](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
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- imethylethyl)phosphoramidite] (ACI)
Inombolo yoBhaliso yeCAS
104992-55-4
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 988.19 | - |
| pKa (Kuxelwe kwangaphambili) | 7.87±0.43 | Eyona Temp iAcidic Temp: 25 °C |
Uncumo lweCanonical
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C )COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)N(C(C)C)C(C)C
Isomeric UNCUMA
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](O[Si](C (C)(C)C)(C)C)[C@@H](O1)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
InChi
InChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-) 17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59 -35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47- ,51-,69?/m1/s1
Isitshixo se-InchI
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Elinye iGama lesi Sithombo
Adenosine,N-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- [(1,1-dimethylethyl) dimethylsilyl]-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramidite] (9CI)
ISpectra ekhoyo
IMisa
Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo olunxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 5.50 x 105 | 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 | 1.00 x 106 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 61500 | pH 1; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.64 x 106 | pH 2; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 3; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 4; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 5; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 6; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 7; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 8; Ubushushu: 25 °C | (1) ACD |
| Koc | 3.20 x 106 | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 9.24 x 105 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logD | 8.81 | pH 1; Ubushushu: 25 °C | (1) ACD |
| logD | 10.24 | pH 2; Ubushushu: 25 °C | (1) ACD |
| logD | 11.24 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | 11.73 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | 11.83 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | 11.83 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | 11.75 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | 11.31 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | 10.53 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | 9.99 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | 11.845±0.715 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 1.2 x 10-5 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.5 x 10-3 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.1 x 10-4 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 9.9 x 10-6 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.4 x 10-6 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 2.7 x 10-6 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 2.7 x 10-6 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.2 x 10-6 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 8.9 x 10-6 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 6.3 x 10-5 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.2 x 10-4 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.2 x 10-6 g/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.2 x 10-8 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.5 x 10-6 mol / L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-7 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.0 x 10-8 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.4 x 10-9 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.7 x 10-9 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.7 x 10-9 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.2 x 10-9 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kweMolar | 9.0 x 10-9 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 6.4 x 10-8 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 4.2 x 10-7 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.2 x 10-9 mol/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 988.19 | ||
| pKa | 7.87±0.43 | Eyona Temp iAcidic Temp: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 21 | (1) ACD | |
| H Abamkeli | 15 | (1) ACD | |
| H Abaxhasi | 1 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 16 | (1) ACD | |
| logP | 11.845±0.715 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 988.19 |
| Ipropati | Ixabiso | Umthombo wemeko |
| Indawo yePolar Surface | 178 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Uphuhliso lweKhemistri olukwinqanaba eliphezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1 H NMR
13 C NMR
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, I-N-bis(1-methyl ethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.png)
![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- imethylethyl)phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C43H55N4O10P-Uridine-300x300.png)
![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI)](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine-300x300.png)
![C47H51FN7O7P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) )](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine-300x300.png)