![C41H51N5O8Si Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-[(1,1-dimethyletyl)dimethylsilyl]-N-(2-metyl-1-oksopropyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8Si Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-[(1,1-dimethyletyl)dimethylsilyl]-N-(2-metyl-1-oksopropyl)- (9CI, ACI) Ofbylding mei de útlis](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8Si Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-[(1,1-dimethyletyl)dimethylsilyl]-N-(2-metyl-1-oksopropyl)- (9CI, ACI)
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 769,96 | - |
| Dichtheid (foarsein) | 1,25 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 9.16±0.20 | Soerste temperatuer: 25 °C |
Kanonike SMILES 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
Isomere SMILES
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
YnChI
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-kaai
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Oare namme foar dizze stof
5′-O-[Bis(4-metoksyfenyl)fenylmetyl]-2′-O-[(1,1-dimethyletyl)dimethylsilyl]-N-(2-metyl-1-oksopropyl)guanosine (ACI)
Spektra beskikber
1H NMR
13C NMR
Mis
| Beskikbere eigenskippen |
| Biologysk |
| Gemysk |
| Dichtheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1,38 x 105 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3,53 x 105 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 4.18 x 105 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 4,26 x 105 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 4,26 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 4,26 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 4.21 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3,77 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,86 x 105 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 33800 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.21 x 105 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 3.08 x 105 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 3,65 x 105 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 3,72 x 105 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 3,73 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 3,72 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 3,68 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 3.30 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 1,62 x 105 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 29600 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 7.22 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 7.63 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 7.70 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 7.71 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 7.71 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 7.71 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 7.70 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 7.66 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 7.35 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 6.61 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 7.710±0.709 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 2,7 x 10-5 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 8,5 x 10-5 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,3 x 10-5 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,8 x 10-5 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,7 x 10-5 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,7 x 10-5 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,7 x 10-5 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,8 x 10-5 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,1 x 10-5 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 6,2 x 10-5 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,5 x 10-4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,8 x 10-5 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 3,5 x 10-8 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-7 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,3 x 10-8 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,6 x 10-8 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,5 x 10-8 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,5 x 10-8 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 3,5 x 10-8 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,6 x 10-8 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,0 x 10-8 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 8,1 x 10-8 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,5 x 10-7 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,6 x 10-8 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 769,96 | ||
| pKa | 9.16±0.20 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 1,73 ± 0,10 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichtheid
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1,25 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 615,5 ± 7,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 14 | (1) ACD | |
| H-akseptors | 13 | (1) ACD | |
| H Donateurs | 3 | (1) ACD | |
| H Donor/Akseptor Som | 16 | (1) ACD | |
| logP | 7.710±0.709 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 769,96 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 155 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
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