C42H39N3O8 Wali lama magacaabin
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 713.78 | - |
| Cufnaanta (La saadaaliyay) | 1.315± 0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 8.23±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C
Dhoola-caddeyn
C (OC[C@H] 1O[C@H]
InChi
InChi=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5) -13-29,31-17-21-33(51-2)22-18-31)52-26-37-36(46)23-38(53-37)4 5 -25-35 (H,44,48,49)/t36-,37+,38+/m0/s1
Furaha InChi
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Guryaha la heli karo |
| Nafley |
| Guryaha la heli karo |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 41700 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 41700 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 41700 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 41700 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 41700 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 41200 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 36900 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 18100 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 3290 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 718 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 70600 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 70600 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 70600 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 70600 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 70500 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 69700 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 62400 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Koc | 30600 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 5560 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 1210 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logD | 6.38 | pH 1; Heerkulka: 25 °C | (1) ACD |
| logD | 6.38 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | 6.38 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| logD | 6.38 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 6.38 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 6.38 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 6.33 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 6.02 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | 5.28 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | 4.62 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 6.382 ± 0.644 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 5.1 x 10-7 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.1 x 10-7 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.1 x 10-7 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.1 x 10-7 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.1 x 10-7 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.1 x 10-7 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.1 x 10-7 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.7 x 10-7 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.1 x 10-6 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 6.4 x 10-6 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 2.9 x 10-5 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.7 x 10-7 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 7.1 x 10-10 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.2 x 10-10 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-10 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-9 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 9.0 x 10-9 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 4.1 x 10-8 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-10 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Miisaanka Molecular | 713.78 | ||
| pKa | 8.23±0.10 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -1.90±0.20 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.315± 0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 542.7 ± 3.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 13 | (1) ACD | |
| H Aqbalayaasha | 11 | (1) ACD | |
| H Deeq-bixiyayaasha | 3 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 14 | (1) ACD | |
| logP | 6.382 ± 0.644 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 713.78 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 136 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR
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