C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 769.96 | - |
| Density (voavinavina) | 1,25±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 9.16±0.20 | Mafana asidra indrindra: 25 °C |
SMILES Canonical 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)
SMILES Isomerique
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
InChI Key
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Anarana hafa ho an'ity akora ity
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosine (ACI)
Spectra misy
1H NMR
13C NMR
-bahoaka
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 1.38 x 105 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 3.53 x 105 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 4.18 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 4.26 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 4.26 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 4.26 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 4.21 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 3.77 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1,86 x 105 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 33800 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 1.21 x 105 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 3.08 x 105 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 3.65 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 3.72 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 3.73 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 3.72 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 3.68 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 3.30 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 1.62 x 105 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 29600 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 7.22 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 7.63 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 7.70 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 7.71 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 7.71 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 7.71 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 7.70 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 7.66 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 7.35 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 6.61 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 7.710±0.709 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 2,7 x 10-5 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 8,5 x 10-5 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,3 x 10-5 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,8 x 10-5 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,7 x 10-5 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,7 x 10-5 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,7 x 10-5 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,8 x 10-5 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,1 x 10-5 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 6,2 x 10-5 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,5 x 10-4 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,8 x 10-5 g/L | Rano tsy voaaro pH 7.00; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 3,5 x 10-8 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-7 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 4,3 x 10-8 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,6 x 10-8 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,5 x 10-8 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,5 x 10-8 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 3,5 x 10-8 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,6 x 10-8 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 4,0 x 10-8 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 8,1 x 10-8 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 4,5 x 10-7 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,6 x 10-8 mol/L | Rano tsy voaaro pH 7.00; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 769.96 | ||
| pKa | 9.16±0.20 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,25±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 615.5±7.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 14 | (1) ACD | |
| H Acceptors | 13 | (1) ACD | |
| H Mpanome | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| logP | 7.710±0.709 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 769.96 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Faritra ambonin'ny polar | 155 A2 | (1) ACD | |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
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