C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
Meatotino Faaletino Autu | Taua | Tulaga |
Molecular Weight | 560.60 | - |
To'atele (Va'ai) | 1.35±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
pKa (vala'aina) | 9.39±0.10 | Le Tele o le Acid Temp: 25 °C |
O'O'ITA'I 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)C2OC
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OC)[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/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(38- 2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27 -,28-,29-/m1/s1
InChI Ki
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Isi Igoa mo lea Mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI); 5′-O-(4,4′-Dimethoxytriyl)-2′-O-methyluridine
Spectra avanoa
1H NMR
Misasa
Meatotino avanoa |
Fa'aolaola |
Kemisi |
Malosi |
Lipinski |
Fauga Faatatau |
Fa'aolaola
Meatotino | Taua | Tulaga | Punavai |
Bioconcentration Factor | 1240 | pH 1; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 2; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 3; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 4; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 5; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 6; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1230 | pH 7; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1190 | pH 8; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 861 | pH 9; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 238 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
Meatotino | Taua | Tulaga | Punavai |
Koc | 5690 | pH 1; Maalili: 25 °C | (1) ACD |
Koc | 5690 | pH 2; Maalili: 25 °C | (1) ACD |
Koc | 5690 | pH 3; Maalili: 25 °C | (1) ACD |
Koc | 5690 | pH 4; Maalili: 25 °C | (1) ACD |
Koc | 5690 | pH 5; Maalili: 25 °C | (1) ACD |
Koc | 5690 | pH 6; Maalili: 25 °C | (1) ACD |
Koc | 5670 | pH 7; Maalili: 25 °C | (1) ACD |
Koc | 5450 | pH 8; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Koc | 3960 | pH 9; Maalili: 25 °C | (1) ACD |
Koc | 1100 | pH 10; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.37 | pH 1; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.37 | pH 2; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.37 | pH 3; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.37 | pH 4; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.37 | pH 5; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.37 | pH 6; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.37 | pH 7; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.35 | pH 8; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.21 | pH 9; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.66 | pH 10; Maalili: 25 °C | (1) ACD |
logP | 4.372±0.582 | Maalili: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 3.7 x 10-4 g/L | Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH 1; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH 2; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH 3; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH 4; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH 5; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH 6; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH 7; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.8 x 10-4 g/L | pH 8; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.3 x 10-4 g/L | pH 9; Maalili: 25 °C | (1) ACD |
Mass Solubility | 1.9 x 10-3 g/L | pH 10; Maalili: 25 °C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | Suavai e le fa'asaoina pH 6.99; Maalili: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 6.6 x 10-7 mol/L | Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Molar Solubility | 6.6 x 10-7 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.8 x 10-7 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
Molar Solubility | 9.4 x 10-7 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
Molar Solubility | 3.4 x 10-6 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | Suavai e le fa'asaoina pH 6.99; Maalili: 25 °C | (1) ACD |
Molecular Weight | 560.60 | ||
pKa | 9.39±0.10 | Le Tele o le Acid Temp: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
Meatotino | Taua | Tulaga | Punavai |
Malosi | 1.35±0.1g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
Molar Volume | 412.9±5.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Meatotino | Taua | Tulaga | Punavai |
Noanoaga e mafai ona fesuia'i saoloto | 11 | (1) ACD | |
H Tagata talia | 10 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Fa'ameaalofa/Tagata Talia | 12 | (1) ACD | |
logP | 4.372±0.582 | Maalili: 25 °C | (1) ACD |
Molecular Weight | 560.60 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
Meatotino | Taua | Tulaga | Punavai |
Polar Surface Area | 116 A2 | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
13C NMR