![C44H49N5O7Si Adenozino, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′- O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H49N5O7Si Adenozino, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′- O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI) Elstara bildo](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7Si Adenozino, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′- O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)
| Ŝlosilaj Fizikaj Propraĵoj | Valoro | Kondiĉo |
| Molekula pezo | 787,98 | - |
| Denso (Antaŭvidita) | 1,23±0,1 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr |
| pKa (Antaŭvidita) | 7,87±0,43 | Plej Acida Temp: 25 °C |
Kanonaj RIDETOJ
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
Isomeraj RIDETOJ
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
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
InChI Ŝlosilo
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Aliaj Nomoj por ĉi tiu Substanco
N-Benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O-[(1,1-dimetiletil)dimetilsilil]adenozino (ACI);N6-Benzoil-5′-O-(4,4′- dimetoksitritil) -2′-O-(tert-butildimetilsilil)adenozino
Spektro haveblaj
1H NMR
Hetero NMR
| Disponeblaj posedaĵoj |
| Biologia |
| Kemiaĵo |
| Denso |
| Lipinski |
| Strukturo Rilata |
Biologia
| Proprieto | Valoro | Kondiĉo | Fonto |
| Biokoncentra Faktoro | 1,00 x 106 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,00 x 106 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,00 x 106 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,00 x 106 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,00 x 106 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,00 x 106 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,00 x 106 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,00 x 106 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,00 x 106 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 5,41 x 105 | pH 10;Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Kemiaĵo
| Proprieto | Valoro | Kondiĉo | Fonto |
| Koc | 2,01 x 106 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Koc | 6,87 x 106 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Koc | 9,08 x 106 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Koc | 9,38 x 106 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Koc | 9,39 x 106 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Koc | 9,19 x 106 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Koc | 7,53 x 106 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Koc | 2,73 x 106 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Koc | 4,48 x 105 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Koc | 1,31 x 105 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logD | 9.62 | pH 1;Temperaturo: 25 °C | (1) ACD |
| logD | 10.15 | pH 2;Temperaturo: 25 °C | (1) ACD |
| logD | 10.27 | pH 3;Temperaturo: 25 °C | (1) ACD |
| logD | 10.29 | pH 4;Temperaturo: 25 °C | (1) ACD |
| logD | 10.29 | pH 5;Temperaturo: 25 °C | (1) ACD |
| logD | 10.28 | pH 6;Temperaturo: 25 °C | (1) ACD |
| logD | 10.19 | pH 7;Temperaturo: 25 °C | (1) ACD |
| logD | 9.75 | pH 8;Temperaturo: 25 °C | (1) ACD |
| logD | 8.97 | pH 9;Temperaturo: 25 °C | (1) ACD |
| logD | 8.43 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logP | 10,291±0,708 | Temperaturo: 25 °C | (1) ACD |
| Masa Intrinseka Solvebleco | 1,1 x 10-6 g/L | Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 4,8 x 10-6 g/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,4 x 10-6 g/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,1 x 10-6 g/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,0 x 10-6 g/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,0 x 10-6 g/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,0 x 10-6 g/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,3 x 10-6 g/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,5 x 10-6 g/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,2 x 10-5 g/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 7,6 x 10-5 g/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,3 x 10-6 g/L | Nebufrita Akvo pH 7.00;Temperaturo: 25 °C | (1) ACD |
| Molara Intrinseka Solvebleco | 1,4 x 10-9 mol/L | Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 6,1 x 10-9 mol/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,8 x 10-9 mol/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-9 mol/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,3 x 10-9 mol/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,3 x 10-9 mol/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Molara Solvebleco | 1,3 x 10-9 mol/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,6 x 10-9 mol/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 4,5 x 10-9 mol/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,8 x 10-8 mol/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 9,6 x 10-8 mol/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,6 x 10-9 mol/L | Nebufrita Akvo pH 7.00;Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 787,98 | ||
| pKa | 7,87±0,43 | Plej Acida Temp: 25 °C | (1) ACD |
| pKa | 1,39±0,10 | Plej Baza Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Denso
| Proprieto | Valoro | Kondiĉo | Fonto |
| Denso | 1,23±0,1 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr | (1) ACD |
| Molara Volumo | 639,5±7,0 cm3/mol | Temp: 20 °C;Gazetaro: 760 Torr | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Proprieto | Valoro | Kondiĉo | Fonto |
| Libere Rotacieblaj Obligacioj | 14 | (1) ACD | |
| H Akceptantoj | 12 | (1) ACD | |
| H Donantoj | 2 | (1) ACD | |
| H Sumo de donacanto/akceptanto | 14 | (1) ACD | |
| logP | 10,291±0,708 | Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 787,98 |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Strukturo Rilata
| Proprieto | Valoro | Kondiĉo | Fonto |
| Polusa Surfacareo | 139 A2 | (1) ACD | |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Spektro haveblaj
1H NMR
13C NMR
![C48H54N7O8P Adenozino, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O-metil-, 3′ – [2-cianoetil N,N-bis(1-metiletil)fosfor amidito] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C50H58N7O9P Adenozino, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O-(2-metoksietil)-, 3′ – [2-cianoetil N,N-bis(1-metiletil) ) fosforamidito] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C10H12N2O5 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pirimidin-6-one, 2,3,3a,9a-tetrah idro-3-hidroksi-2-(hidroksimetil)- 7-metil-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C31H32N2O8 Uridino, 5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O-metil- (9C I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
