![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) Hoton da aka nuna](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)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 631.80 | - |
| Wurin tafasa (An annabta) | 779.4± 60.0 °C | Latsa: 760 Torr |
| Girma (An annabta) | 1.154± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 4.78± 0.10 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
Isomeric SMILES C (OC[C@H] 1N (C(CCCCCCCCCC(O)=O)=O)C[C@H](O)C1(C2=CC=C(OC)C=C2)(C3) = CC=C(OC)C=C3)C4=CC=CC=C4
InChi
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
InChi Key
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Wani Sunan Wannan Abu
(2S,4R) -2-[[Bis (4-methoxyphenyl) phenylmethoxy] methyl] -4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
| Thermal |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 2.46 x 105 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.46 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.42 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.11 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 92400 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 14000 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1510 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 192 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 58.6 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 45.3 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 2.52 x 105 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 2.51 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 2.47 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 2.16 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 94500 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 14300 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1550 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 196 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 59.9 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 46.3 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.40 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| logD | 7.40 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.39 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.33 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.97 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.15 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 5.19 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.29 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 3.77 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 3.66 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 7.397± 0.598 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.3 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-4 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-4 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-4 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.5 x 10-4 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.5 x 10-4 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.3 x 10-3 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.021 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.17 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.69 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-3 g/L | Ruwan da ba a buƙata ba pH 5.73; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 2.1 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.1 x 10-7 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.1 x 10-7 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.1 x 10-7 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.4 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 5.5 x 10-7 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.6 x 10-6 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.4 x 10-5 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.7 x 10-4 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 8.7 x 10-4 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 1.1 x 10-3 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.1 x 10-6 mol/L | Ruwan da ba a buƙata ba pH 5.73; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 631.80 | ||
| pKa | 4.78± 0.10 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | -2.31±0.60 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
| Ruwan Ruwa | 1.42 x 10-25 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.154± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 547.3± 3.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 20 | (1) ACD | |
| H Masu karɓa | 8 | (1) ACD | |
| H Masu Ba da taimako | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 10 | (1) ACD | |
| logP | 7.397± 0.598 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 631.80 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 106 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Wurin Tafasa | 779.4± 60.0 °C | Latsa: 760 Torr | (1) ACD |
| Enthalpy na Vaporization | 118.97± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
| Wurin Flash | 425.2± 32.9 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
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