C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI )
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 769.96 | - |
Kachulukidwe (Zonenedweratu) | 1.25±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
pKa (Zonenedweratu) | 9.16±0.20 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C
Isomeric AMAmwetulira
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)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC) C=C5)C6=CC=CC=C6
InChi
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 Key
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Dzina Lina la chinthu ichi
5'-O--[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosine (ACI)
Spectra ilipo
1H NMR
13C NMR
Misa
Katundu zilipo |
Zachilengedwe |
Chemical |
Kuchulukana |
Lipinski |
Zogwirizana ndi Kapangidwe |
Zachilengedwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 1.38x105 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 3.53 x 105 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 4.18x105 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 4.26 x 105 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 4.26 x 105 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 4.26 x 105 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 4.21 x 105 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 3.77 x 105 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.86x105 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 33800 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 1.21x105 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 3.08x105 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 3.65 x 105 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | pH 4; Kutentha: 25 ° C | (1) ACD |
Koc | 3.73 x 105 | pH 5; Kutentha: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | pH 6; Kutentha: 25 ° C | (1) ACD |
Koc | 3.68x105 | pH 7; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 3.30 x 105 | pH 8; Kutentha: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 29600 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | 7.22 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | 7.63 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | 7.70 | pH 3; Kutentha: 25 ° C | (1) ACD |
logD | 7.71 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | 7.71 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | 7.71 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | 7.70 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | 7.66 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | 7.35 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | 6.61 | pH 10; Kutentha: 25 ° C | (1) ACD |
logP | 7.710±0.709 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 2.7 x 10-5 g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 8.5 x 10-5 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.3 x 10-5 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.8 x 10-5 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.7 x 10-5 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.7 x 10-5 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.7 x 10-5 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.8 x 10-5 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.1 x 10-5 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 6.2 x 10-5 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-4 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.8 x 10-5 g/L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 3.5 x 10-8 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-7 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 4.3 x 10-8 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.5 x 10-8 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.5 x 10-8 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Molar Solubility | 3.5 x 10-8 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 4.0 x 10-8 mol/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 8.1 x 10-8 mol/L | pH 9; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 4.5 x 10-7 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol / L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 769.96 | ||
pKa | 9.16±0.20 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
pKa | 1.73±0.10 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
Katundu | Mtengo | Mkhalidwe | Gwero |
Kuchulukana | 1.25±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volume | 615.5±7.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Katundu | Mtengo | Mkhalidwe | Gwero |
Ma Bond Osinthasintha Mwaulere | 14 | (1) ACD | |
H Olandira | 13 | (1) ACD | |
H Opereka | 3 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 16 | (1) ACD | |
logP | 7.710±0.709 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 769.96 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Malo a Polar Surface | 155 a2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR