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C31H32N2O8 Ûrîdîn, 5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'-O-metîl- (9C I, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 560.60 | - |
| Density (Pêşbîn kirin) | 1,35±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 9,39±0,10 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî 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
PÊŞÎNÊN ÎZOMERÎ 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 Key
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Navên din ên vê madeyê
5'-O-[Bis(4-metoksîfenîl)fenîlmetîl]-2'-O-metîlûrîdîn (ACI);5'-O-(4,4'-Dimetoksîtrîtil)-2'-O-methyluridine
Spectra heye
1H NMR
Gel
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 1240 | pH 1;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1240 | pH 2;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1240 | pH 3;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1240 | pH 4;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1240 | pH 5;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1240 | pH 6;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1230 | pH 7;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1190 | pH 8;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 861 | pH 9;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 238 | pH 10;Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 5690 | pH 1;Germ: 25 °C | (1) ACD |
| Koc | 5690 | pH 2;Germ: 25 °C | (1) ACD |
| Koc | 5690 | pH 3;Germ: 25 °C | (1) ACD |
| Koc | 5690 | pH 4;Germ: 25 °C | (1) ACD |
| Koc | 5690 | pH 5;Germ: 25 °C | (1) ACD |
| Koc | 5690 | pH 6;Germ: 25 °C | (1) ACD |
| Koc | 5670 | pH 7;Germ: 25 °C | (1) ACD |
| Koc | 5450 | pH 8;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 3960 | pH 9;Germ: 25 °C | (1) ACD |
| Koc | 1100 | pH 10;Germ: 25 °C | (1) ACD |
| logD | 4.37 | pH 1;Germ: 25 °C | (1) ACD |
| logD | 4.37 | pH 2;Germ: 25 °C | (1) ACD |
| logD | 4.37 | pH 3;Germ: 25 °C | (1) ACD |
| logD | 4.37 | pH 4;Germ: 25 °C | (1) ACD |
| logD | 4.37 | pH 5;Germ: 25 °C | (1) ACD |
| logD | 4.37 | pH 6;Germ: 25 °C | (1) ACD |
| logD | 4.37 | pH 7;Germ: 25 °C | (1) ACD |
| logD | 4.35 | pH 8;Germ: 25 °C | (1) ACD |
| logD | 4.21 | pH 9;Germ: 25 °C | (1) ACD |
| logD | 3.66 | pH 10;Germ: 25 °C | (1) ACD |
| logP | 4,372±0,582 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 3,7 x 10-4 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,8 x 10-4 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,3 x 10-4 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,9 x 10-3 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-4 g/L | pH ava nebuffered 6,99;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 6,6 x 10-7 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,6 x 10-7 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,6 x 10-7 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,6 x 10-7 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,6 x 10-7 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,6 x 10-7 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,6 x 10-7 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 6,6 x 10-7 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,8 x 10-7 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 9,4 x 10-7 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,4 x 10-6 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,6 x 10-7 mol/L | pH ava nebuffered 6,99;Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 560.60 | ||
| pKa | 9,39±0,10 | Germahiya herî asîdî: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,35±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 412,9±5,0 cm3/mol | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 11 | (1) ACD | |
| H Qebûrker | 10 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 12 | (1) ACD | |
| logP | 4,372±0,582 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 560.60 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 116 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
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