![118 Re36H44N2O8Si Uridinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 Re36H44N2O8Si Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-(9CI, ACI) Imago Praecipua](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 Re36H44N2O8Si Uridinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 660.83 | - |
| Densitas (Praedicta) | 1.24±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 9.39±0.10 | Temperatura Acida Maxima: 25°C |
SMILES Canonicae O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2O[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)N²C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC= C5
InChI
InChI=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34(38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28(43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/m1/s1
Clavis InChI
KVHQIELPHWJPSY-WXQJYUTRSA-N
Duo Alia Nomina Huius Substantiae
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]uridinum (ACI); 2'-O-tert-Butyldimethylsilyl-5'-O-(4,4'-dimethoxytrityl)uridinum
Spectra praesto sunt
1H NMR
13C NMR
Hetero NMR
Missa
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 2.21 × 105 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.21 × 105 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.21 × 105 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.21 × 105 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.21 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.21 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.20 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.12 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.54 × 105 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 42500 | 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 | 2.33 × 105 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 2.33 × 105 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 2.33 × 105 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 2.33 × 105 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 2.33 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 2.33 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 2.32 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 2.23 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 1.62 × 105 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 44800 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 7.33 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 7.33 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 7.33 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 7.33 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 7.33 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 7.33 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 7.33 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 7.32 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 7.18 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 6.62 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 7.334±0.643 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 3.5 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁵ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁵ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁵ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁵ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁵ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁵ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁵ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.6 × 10⁻⁵ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.0 × 10⁻⁵ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.9 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁵ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 5.3 × 10⁻⁸ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.3 × 10⁻⁸ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.3 × 10⁻⁸ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.3 × 10⁻⁸ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.3 × 10⁻⁸ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 5.3 × 10⁻⁸ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.3 × 10⁻⁸ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.3 × 10⁻⁸ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.5 × 10⁻⁸ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 7.6 × 10⁻⁸ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.8 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.3 × 10⁻⁸ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 660.83 | ||
| pKa | 9.39±0.10 | Temperatura Acida Maxima: 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 | 1.24±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 528.8±5.0 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 | 13 | (1) ACD | |
| Acceptores H | 10 | (1) ACD | |
| Donatores H | 2 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 12 | (1) ACD | |
| logP | 7.334±0.643 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 660.83 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 116 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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