C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI )
Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
Boima ba Molek'hule | 769.96 | - |
Boima (bo boletsoeng esale pele) | 1.25±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
pKa (E boletsoeng esale pele) | 9.16±0.20 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososelo tsa Canonical 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 SOSOA
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
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
Senotlolo sa InChi
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Lebitso le Leng la Ntho ena
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosine (ACI)
Spectra e fumaneha
1H NMR
13C NMR
Mmisa
Thepa e teng |
Likokoana-hloko |
Lik'hemik'hale |
Botenya |
Lipinski |
Sebopeho se Amanang |
Likokoana-hloko
Thepa | Boleng | Boemo | Mohloli |
Bioconcentration Factor | 1.38 x 105 | pH 1; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 3.53 x 105 | pH 2; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 4.18 x 105 | pH 3; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 4.26 x 105 | pH 4; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 4.26 x 105 | pH 5; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 4.26 x 105 | pH 6; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 4.21 x 105 | pH 7; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 3.77 x 105 | pH 8; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.86 x 105 | pH 9; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 33800 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
Thepa | Boleng | Boemo | Mohloli |
Koc | 1.21 x 105 | pH 1; Mocheso: 25 °C | (1) ACD |
Koc | 3.08 x 105 | pH 2; Mocheso: 25 °C | (1) ACD |
Koc | 3.65 x 105 | pH 3; Mocheso: 25 °C | (1) ACD |
Koc | 3.72 x 105 | pH 4; Mocheso: 25 °C | (1) ACD |
Koc | 3.73 x 105 | pH 5; Mocheso: 25 °C | (1) ACD |
Koc | 3.72 x 105 | pH 6; Mocheso: 25 °C | (1) ACD |
Koc | 3.68 x 105 | pH 7; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Koc | 3.30 x 105 | pH 8; Mocheso: 25 °C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Mocheso: 25 °C | (1) ACD |
Koc | 29600 | pH 10; Mocheso: 25 °C | (1) ACD |
logD | 7.22 | pH 1; Mocheso: 25 °C | (1) ACD |
logD | 7.63 | pH 2; Mocheso: 25 °C | (1) ACD |
logD | 7.70 | pH 3; Mocheso: 25 °C | (1) ACD |
logD | 7.71 | pH 4; Mocheso: 25 °C | (1) ACD |
logD | 7.71 | pH 5; Mocheso: 25 °C | (1) ACD |
logD | 7.71 | pH 6; Mocheso: 25 °C | (1) ACD |
logD | 7.70 | pH 7; Mocheso: 25 °C | (1) ACD |
logD | 7.66 | pH 8; Mocheso: 25 °C | (1) ACD |
logD | 7.35 | pH 9; Mocheso: 25 °C | (1) ACD |
logD | 6.61 | pH 10; Mocheso: 25 °C | (1) ACD |
logP | 7.710±0.709 | Mocheso: 25 °C | (1) ACD |
Mass Intrinsic Sollubility | 2.7 x 10-5 g/L | Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 8.5 x 10-5 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.3 x 10-5 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.8 x 10-5 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.7 x 10-5 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.7 x 10-5 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.7 x 10-5 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.8 x 10-5 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.1 x 10-5 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 6.2 x 10-5 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.5 x 10-4 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.8 x 10-5 g/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 3.5 x 10-8 mol/L | Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.1 x 10-7 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 4.3 x 10-8 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.5 x 10-8 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.5 x 10-8 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molar Solubility | 3.5 x 10-8 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 4.0 x 10-8 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 8.1 x 10-8 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 4.5 x 10-7 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 769.96 | ||
pKa | 9.16±0.20 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
pKa | 1.73±0.10 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
Thepa | Boleng | Boemo | Mohloli |
Botenya | 1.25±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molar | 615.5±7.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Thepa | Boleng | Boemo | Mohloli |
Li-Bonds tse ka fetolehang ka bolokolohi | 14 | (1) ACD | |
H Ba amohelang | 13 | (1) ACD | |
H Bafani | 3 | (1) ACD | |
H Kakaretso ea Mofani/Moamoheli | 16 | (1) ACD | |
logP | 7.710±0.709 | Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 769.96 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
Thepa | Boleng | Boemo | Mohloli |
Sebaka sa Polar Surface | 155 A2 | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR