118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)
Nga Ahuatanga Tinana Matua | Uara | Tikanga |
Taumaha rāpoi | 660.83 | - |
Kiato (I Matapaetia) | 1.24±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
pKa (I matapaetia) | 9.39±0.10 | Te Mahana Waiwawa Nui: 25 °C |
MATE 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
NGĀ ATA ISOMERIKA
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
Kī InChI
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Ētahi atu Ingoa mō tēnei Matū
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytriyl)uridine
Kei te waatea te Spectra
1H NMR
13C NMR
Hetero NMR
Mass
Nga rawa e waatea ana |
Koiora |
Te matū |
Kiato |
Lipinski |
Hanganga e Pa ana |
Koiora
Taonga | Uara | Tikanga | Puna |
Tauwehe Bioconcentration | 2.21 x 105 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2.21 x 105 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2.21 x 105 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2.21 x 105 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2.21 x 105 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2.21 x 105 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2.20 x 105 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2.12 x 105 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.54 x 105 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 42500 | pH 10; Te Mamahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Te matū
Taonga | Uara | Tikanga | Puna |
Koc | 2.33 x 105 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Koc | 2.32 x 105 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Koc | 2.23 x 105 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Koc | 44800 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.33 | pH 1; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.33 | pH 2; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.33 | pH 3; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.33 | pH 4; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.33 | pH 5; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.33 | pH 6; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.33 | pH 7; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.32 | pH 8; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 7.18 | pH 9; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 6.62 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiP | 7.334±0.643 | Te Mamahana: 25 °C | (1) ACD |
Te Wairewa o roto | 3.5 x 10-5 g/L | Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.5 x 10-5 g/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.5 x 10-5 g/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.5 x 10-5 g/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.5 x 10-5 g/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.5 x 10-5 g/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.5 x 10-5 g/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.5 x 10-5 g/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.6 x 10-5 g/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.0 x 10-5 g/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.9 x 10-4 g/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.5 x 10-5 g/L | Te Wai Whakakore pH 7.00; Te Mamahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 5.3 x 10-8 mol/L | Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Molar Solubility | 5.3 x 10-8 mol/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.5 x 10-8 mol/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 7.6 x 10-8 mol/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 2.8 x 10-7 mol/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol/L | Te Wai Whakakore pH 7.00; Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 660.83 | ||
pKa | 9.39±0.10 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kiato
Taonga | Uara | Tikanga | Puna |
Kiato | 1.24±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
Rōrahi Moara | 528.8±5.0 cm3/mol | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Taonga | Uara | Tikanga | Puna |
Nga here e taea te huri noa | 13 | (1) ACD | |
H Nga Kaiwhiwhi | 10 | (1) ACD | |
H Nga Kaituku | 2 | (1) ACD | |
H Tapeke Kaituku/Kaiwhiwhi | 12 | (1) ACD | |
rangitakiP | 7.334±0.643 | Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 660.83 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Hanganga e Pa ana
Taonga | Uara | Tikanga | Puna |
Rohe Mata Polar | 116 A2 | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kei te waatea te Spectra
1H NMR
13C NMR