![C30H29FN2O7 Uridinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro- (9Cl, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H29FN2O7 Uridinum, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro- (9Cl, ACI)
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 548.56 | - |
| Punctum Liquefactionis (Experimentale) | 118-120°C | - |
| Densitas (Praedicta) | 1.38±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 9.39±0.10 | Temperatura Acida Maxima: 25°C |
SMILES Canonica 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)C2F
SMILES Isomerica C(OC[C@H]1O[C@H]([C@H](F)([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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26-,27-,28-/m1/s1
Clavis InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Aliud Nomen pro hac Substantia
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluorouridinum (ACI)
Proprietates praesto
Thermalis
Thermalis
| Possessio | Valor | Conditio | Fons |
| Punctum Liquefactionis | 118-120°C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosida, Nucleotida et Acida Nucleica, (2018), 37(4), 232-247, CAplus.
Spectra praesto sunt
1H NMR
13C NMR
| Proprietates praesto |
| Biologicus |
| Chemica |
| Densitas |
| Lipinski |
| Structurae Relata |
Biologicus
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 3580 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3580 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3580 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3580 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3580 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3580 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3570 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3430 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2500 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | DCLXXXIX | 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 | 12200 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 12200 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 12200 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 12200 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 12200 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 12200 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 12100 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 11700 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 8480 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 2340 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 4.98 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 4.98 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 4.98 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 4.98 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 4.98 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 4.98 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 4.98 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 4.96 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 4.82 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 4.26 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 4.979±0.563 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 9.9 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.4 × 10⁻⁴ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.0 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Massae | 9.9 × 10⁻⁵ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 1.8 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.5 × 10⁻⁷ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 9.2 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 548.56 | ||
| 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 | 1.38±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 395.8±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 | 10 | (1) ACD | |
| Acceptores H | 9 | (1) ACD | |
| Donatores H | 2 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 11 | (1) ACD | |
| logP | 4.979±0.563 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 548.56 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Area Superficialis Polaris | 107 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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