![C41H51N5O8Si guanosine, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O-[(1,1- dimetieletiel) dimetielsilyl] -N- (2-metiel-1-oksopropiel)-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8Si guanosine, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O-[(1,1- dimetieletiel) dimetielsilyl] -N- (2-metiel-1-oksopropyl)-(9ci, ACI) het 'n beeld vertoon](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8Si guanosine, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O-[(1,1- dimetieletiel) dimetielsilyl] -N- (2-metiel-1-oksopropiel)-(9ci, ACI)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 769.96 | - |
| Digtheid (voorspel) | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1n = c (nc (= o) c (c) c) 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)
Isomeriese glimlagte
C (oc [c@h] 1o [c@h] ([c@h] (o [si] (c (c) (c) c) (c) c) [c @@ h] 1o) n2c3 = c (n = c2) c ( = O) n = c (nc (c (c) c) = o) n3) (c4 = cc = c (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Duim
INCHI = 1S/C41H51N5O8SI/C1-25 (2) 36 (48) 44-39-43-35-32 (37 (49) 45-39 ) 42-24-46 (35) 38-34 (54-55 (8,9) 40 (3,4) 5) 33 (47) 31 (53-38) 23-52-41 (2 6-13-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28/H10-22,24-25,31,33-34,38,47H, 23H2,1-9H3, (H2,43,44,45,
48,49)/t31-, 33-, 34-, 38-/m1/s1
Inchi -sleutel
Jmcnkjfoijgyrg-cjegosrcsa-n
1 Ander naam vir hierdie stof
5′-O- [bis (4-methoxyphenyl) fenielmetiel] -2′-O-[(1,1-dimetieletiel) dimetielsilyl] -N- (2-metiel-1-oksopropiel) guanosien (ACI)
Spektra beskikbaar
1H NMR
13C NMR
Massa
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 1,38 x 105 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3.53 x 105 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 4.18 x 105 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 4.26 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 4.26 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 4.26 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 4.21 x 105 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3,77 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,86 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 33800 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| KOC | 1,21 x 105 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 3.08 x 105 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 3,65 x 105 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 3,72 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 3,73 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 3,72 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 3,68 x 105 | Ph 7; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| KOC | 3.30 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 1,62 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 29600 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | 7.22 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 7.63 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | 7.70 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 7.70 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 7.66 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 7.35 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 6.61 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 2,7 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 8,5 x 10-5 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,3 x 10-5 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,8 x 10-5 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,7 x 10-5 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,7 x 10-5 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,7 x 10-5 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,8 x 10-5 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,1 x 10-5 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 6,2 x 10-5 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,5 x 10-4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,8 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 3,5 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,1 x 10-7 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.3 x 10-8 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,6 x 10-8 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,5 x 10-8 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,5 x 10-8 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 3,5 x 10-8 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,6 x 10-8 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4,0 x 10-8 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8.1 x 10-8 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.5 x 10-7 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,6 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 769.96 | ||
| pka | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 1,73 ± 0,10 | Die meeste basiese temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 615,5 ± 7,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 14 | (1) ACD | |
| H Acceptors | 13 | (1) ACD | |
| H -donateurs | 3 | (1) ACD | |
| H Skenker/Acceptor Sum | 16 | (1) ACD | |
| logp | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 769.96 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 155 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
13C NMR
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