![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) Sawirka](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)
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 631.80 | - |
| Barta karkarinta (La saadaaliyay) | 779.4± 60.0 °C | Riix: 760 Torr |
| Cufnaanta (La saadaaliyay) | 1.154±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 4.78±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta 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(29-14-10-9-11-15-29,31-20-24-35(45-) 2)25-21-31)46-28-32-26-33 (40)27-39 (32) 36 (41)16-12-7-5-3-3-4-6-8-13-17- 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
Furaha InChi
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Magaca kale ee walaxdan
(2S,4R)-2-[[Bis (4-methoxyphenyl) phenylmethoxy]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
| Kulul |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 2.46 x 105 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.46 x 105 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.42 x 105 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.11 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 92400 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 14000 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1510 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 192 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 58.6 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 45.3 | 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 | 2.52 x 105 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 2.47 x 105 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 2.16 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 1550 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logD | 7.40 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| logD | 7.40 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 1.3 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.3 x 10-4 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.3 x 10-4 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.3 x 10-4 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.5 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.5 x 10-4 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 2.3 x 10-3 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.021 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.17 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.55 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.69 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.3 x 10-3 g/L | Biyaha aan la daboolin pH 5.73; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 2.1 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.4 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.6 x 10-6 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.4 x 10-5 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.7 x 10-4 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 8.7 x 10-4 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 1.1 x 10-3 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-6 mol/L | Biyaha aan la daboolin pH 5.73; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 631.80 | ||
| pKa | 4.78±0.10 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
| Cadaadis uumiga | 1.42 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 | 1.154±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 547.3 ± 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 | 20 | (1) ACD | |
| H Aqbalayaasha | 8 | (1) ACD | |
| H Deeq-bixiyayaasha | 2 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 10 | (1) ACD | |
| logP | 7.397±0.598 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 631.80 |
(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 | 106 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 | 779.4± 60.0 °C | Riix: 760 Torr | (1) ACD |
| Enthalpy of uumiga | 118.97± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
| Barta Fiishka | 425.2± 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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