![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI) Isithombe Esifakiwe](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 631.80 | - |
| Iphoyinti lokubilisa (elibikezelwe) | 779.4±60.0 °C | Cindezela: 760 Torr |
| Ukuminyana (Kubikezelwe) | 1.154±0.06 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 4.78±0.10 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
I-Isomeric SMILES C(OC[C@H]1N(C(CCCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3 =CC=C(OC)C=C3)C4=CC=CC=C4
I-InChI
I-InChI=1S/C38H49NO7/c1-44-34-22-18-30(19-23-34)38(29-14-10-9-1 1-15-29,31-20-24-35(45-2)25-21-31)46-28-32-26-33(40)27-39(32) 36(41)16-12-7-5-3-4-6-8-13-17-37(42)43/h9-11,14-15,18-25,32- 33,40H,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43)/t32-,33+/m0/s1
Ukhiye we-InchI
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Elinye Igama lale nto
(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
| Okushisayo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 2.46 x 105 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.46 x 105 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.42 x 105 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.11 x 105 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 92400 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 14000 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1510 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 192 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 58.6 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 45.3 | 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 | 2.52 x 105 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 2.47 x 105 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 2.16 x 105 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1550 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.40 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| logD | 7.40 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.33 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 1.3 x 10-4 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.3 x 10-4 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.3 x 10-4 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.3 x 10-4 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.5 x 10-4 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 3.5 x 10-4 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 2.3 x 10-3 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.021 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.17 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.55 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.69 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.3 x 10-3 g/L | Amanzi Angakhiqiziwe pH 5.73; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 2.1 x 10-7 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.1 x 10-7 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.1 x 10-7 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.1 x 10-7 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.4 x 10-7 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 5.5 x 10-7 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 3.6 x 10-6 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 3.4 x 10-5 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.7 x 10-4 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 8.7 x 10-4 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Molar Solubility | 1.1 x 10-3 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.1 x 10-6 mol/L | Amanzi Angakhiqiziwe pH 5.73; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 631.80 | ||
| pKa | 4.78±0.10 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
| I-Vapor Pressure | 1.42 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 | 1.154±0.06 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 547.3±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 | 20 | (1) ACD | |
| H Abamukelayo | 8 | (1) ACD | |
| H Abanikeli | 2 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 10 | (1) ACD | |
| logP | 7.397±0.598 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 631.80 |
(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 | 106 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 | 779.4±60.0 °C | Cindezela: 760 Torr | (1) ACD |
| I-Enthalpy ye-Vaporization | 118.97±3.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
| I-Flash Point | 425.2±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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