![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[bis(4-methoxyphenyl) phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R) - (9 CI, ACI) Sawirka](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6.
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 641.75 | - |
| Barta karkarinta (La saadaaliyay) | 768.7± 60.0 °C | Riix: 760 Torr |
| Cufnaanta (La saadaaliyay) | 1.237±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 14.50±0.40 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6
Isomeric SMILES C (OC[C@H] 1N (C(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3=O)C[C@H](O)C1)(C5=CC=C
InChi
InChi=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5- 11-28,30-18-22-34(46-2)23-19-30)48-26-31-24-32(43)25-42(31)40 44)47-27-39-37-14-8-6-12-35(37)36-13-7-9-15-38(36)39/h3-23,31-32,39,43H,24-27H2,1-2H3/t31-,32+m0
Furaha InChi
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Magacyo kale oo Walaxdan ah
1-Pyrrolidinecarboxylic acid, 2- [[bis (4-methoxyphenyl) phenylmethoxy] methyl] -4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans) - (ZCI); 9H-Fluoren-9-ylmethyl (2S,4R) -2-[[bis (4-methoxyphenyl) phenylmethoxy] methyl] -4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
| Kulul |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 1.00 x 106 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | 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 | 7.70 x 105 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| logD | 8.29 | pH 1; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 8.289± 0.729 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 4.7 x 10-6 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.7 x 10-6 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 7.3 x 10-9 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 641.75 | ||
| pKa | 14.50±0.40 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
| Cadaadis uumiga | 7.42 x 10-25 Torr | Heerkulka: 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 | 1.237±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 518.4 ± 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 | 12 | (1) ACD | |
| H Aqbalayaasha | 7 | (1) ACD | |
| H Deeq-bixiyayaasha | 1 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 8 | (1) ACD | |
| logP | 8.289± 0.729 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 641.75 |
(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 | 77.5 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kulul
| Hanti | Qiimaha | Xaalad | Xigasho |
| Barta Karsan | 768.7± 60.0 °C | Riix: 760 Torr | (1) ACD |
| Enthalpy of uumiga | 117.42± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
| Barta Fiishka | 418.7± 32.9 °C | (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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