![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI) Isithombe Esifakiwe](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 641.75 | - |
| Iphoyinti lokubilisa (elibikezelwe) | 768.7±60.0 °C | Cindezela: 760 Torr |
| Ukuminyana (Kubikezelwe) | 1.237±0.06 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 14.50±0.40 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC =C(OC)C=C7
I-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(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
I-InChI
I-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/s1
Ukhiye we-InchI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Amanye Amagama alesi Sitho
I-1-Pyrrolidinecarboxylic acid, i-2-[[bis (4-methoxyphenyl) phenylmethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); I-9H-Fluoren-9-ylmethyl (2S,4R) -2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
| Okushisayo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 1.00 x 106 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
| Impahla | Inani | Isimo | Umthombo |
| Koc | 7.70 x 105 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| logD | 8.29 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logP | 8.289±0.729 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 4.7 x 10-6 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.7 x 10-6 g/L | Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 7.3 x 10-9 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Molar Solubility | 7.3 x 10-9 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.3 x 10-9 mol/L | Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 641.75 | ||
| pKa | 14.50±0.40 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
| I-Vapor Pressure | 7.42 x 10-25 Torr | Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.237±0.06 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 518.4±3.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 12 | (1) ACD | |
| H Abamukelayo | 7 | (1) ACD | |
| H Abanikeli | 1 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 8 | (1) ACD | |
| logP | 8.289±0.729 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 641.75 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| Indawo ye-Polar Surface | 77.5 A2 | (1) ACD | |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| Iphuzu elibilayo | 768.7±60.0 °C | Cindezela: 760 Torr | (1) ACD |
| I-Enthalpy ye-Vaporization | 117.42±3.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
| I-Flash Point | 418.7±32.9 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
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