![C41H51N5O8Si Guanosinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8Si Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)-(9CI, ACI) Imago Praecipua](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8Si Guanosinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 769.96 | - |
| Densitas (Praedicta) | 1.25±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 9.16±0.20 | Temperatura Acida Maxima: 25°C |
SMILES Canonica 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
Subrisus Isomerici
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
Clavis InChI
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Aliud Nomen pro hac Substantia
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosinum (ACI)
Spectra praesto sunt
1H NMR
13C NMR
Missa
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 1.38 × 105 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3.53 × 105 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 4.18 × 105 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 4.26 × 105 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 4.26 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 4.26 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 4.21 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3.77 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.86 × 105 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 33800 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chemica
| Possessio | Valor | Conditio | Fons |
| Koc | 1.21 × 105 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 3.08 × 105 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 3.65 × 105 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 3.72 × 105 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 3.73 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 3.72 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 3.68 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 3.30 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 1.62 × 105 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 29600 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 7.22 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 7.63 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 7.70 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 7.71 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 7.71 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 7.71 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 7.70 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 7.66 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 7.35 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 6.61 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 7.710±0.709 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 2.7 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 8.5 × 10⁻⁵ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.3 × 10⁻⁵ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.8 × 10⁻⁵ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.7 × 10⁻⁵ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.7 × 10⁻⁵ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.7 × 10⁻⁵ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.8 × 10⁻⁵ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁵ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.2 × 10⁻⁵ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.8 × 10⁻⁵ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 3.5 × 10⁻⁸ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁷ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.3 × 10⁻⁸ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.6 × 10⁻⁸ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.5 × 10⁻⁸ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.5 × 10⁻⁸ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 3.5 × 10⁻⁸ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.6 × 10⁻⁸ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.0 × 10⁻⁸ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 8.1 × 10⁻⁸ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.5 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.6 × 10⁻⁸ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 769.96 | ||
| pKa | 9.16±0.20 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 1.73±0.10 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Densitas
| Possessio | Valor | Conditio | Fons |
| Densitas | 1.25±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 615.5±7.0 cm³/mol | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 14 | (1) ACD | |
| Acceptores H | 13 | (1) ACD | |
| Donatores H | 3 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 16 | (1) ACD | |
| logP | 7.710±0.709 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 769.96 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 155 A2 | (1) ACD | |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
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