C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
Nga Ahuatanga Tinana Matua | Uara | Tikanga |
Taumaha rāpoi | 548.56 | - |
Ira Whakarewa (Whakamatau) | 118-120 °C | - |
Kiato (I Matapaetia) | 1.38±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)C2F
NGĀ ATA ISOMER 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)26(31)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
Kī InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ētahi atu Ingoa mō tēnei matū
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Nga rawa e waatea ana
Ngawha
Ngawha
Taonga | Uara | Tikanga | Puna |
Te Whakarewa | 118-120 °C | (1) CAS |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic acids, (2018), 37(4), 232-247, CAplus
Kei te waatea te Spectra
1H NMR
13C NMR
Nga rawa e waatea ana |
Koiora |
Te matū |
Kiato |
Lipinski |
Hanganga e Pa ana |
Koiora
Taonga | Uara | Tikanga | Puna |
Tauwehe Bioconcentration | 3580 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 3580 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 3580 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 3580 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 3580 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 3580 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 3570 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 3430 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2500 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 689 | 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 | 12200 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Koc | 12200 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Koc | 12200 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Koc | 12200 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Koc | 12200 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Koc | 12200 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Koc | 12100 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Koc | 11700 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Koc | 8480 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Koc | 2340 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.98 | pH 1; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.98 | pH 2; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.98 | pH 3; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.98 | pH 4; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.98 | pH 5; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.98 | pH 6; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.98 | pH 7; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.96 | pH 8; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.82 | pH 9; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.26 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiP | 4.979±0.563 | Te Mamahana: 25 °C | (1) ACD |
Te Wairewa o roto | 9.9 x 10-5 g/L | Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.9 x 10-5 g/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.9 x 10-5 g/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.9 x 10-5 g/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.9 x 10-5 g/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.9 x 10-5 g/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.9 x 10-5 g/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.9 x 10-5 g/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.9 x 10-5 g/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.4 x 10-4 g/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.0 x 10-4 g/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Wairewa Papatipu | 9.9 x 10-5 g/L | Te Wai Whakakore pH 7.00; Te Mamahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 1.8 x 10-7 mol/L | Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 2.5 x 10-7 mol/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 9.2 x 10-7 mol/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | Te Wai Whakakore pH 7.00; Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 548.56 | ||
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 | 1.38±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
Rōrahi Moara | 395.8±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 | 10 | (1) ACD | |
H Nga Kaiwhiwhi | 9 | (1) ACD | |
H Nga Kaituku | 2 | (1) ACD | |
H Tapeke Kaituku/Kaiwhiwhi | 11 | (1) ACD | |
rangitakiP | 4.979±0.563 | Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 548.56 |
(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 | 107 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