![C38H49NO7 1- Pirrolîdinedodecanoic acid, 2- [[bis(4-methoxyphenyl)fenylm etoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Pirrolîdînedodecanoic acid, 2- [[bis(4-methoksyphenyl)fenylm etoxy]methyl]-4-hydroksy-λ-oxo-, (2S,4R)- (ACI) Wêne taybetmendî](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pirrolîdinedodecanoic acid, 2- [[bis(4-methoxyphenyl)fenylm etoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 631.80 | - |
| Xala kelandinê (pêşbînîkirî) | 779,4±60,0 °C | Çapemenî: 760 Torr |
| Density (Pêşbîn kirin) | 1,154±0,06 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 4,78±0,10 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
PÊŞÎNÊN Îzomerî 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) 16-12-7-5-3-4-6-8-13-17- 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 Navê din ji bo vê madeyê
(2S,4R)-2-[[Bis(4-metoksîfenîl)fenîlmetoksî]metîl]-4-hîdroksî-λ-oxo-1-pirrolîdînedodecanoic acid (ACI)
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
| Termal |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 2,46 x 105 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2,46 x 105 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2,42 x 105 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2,11 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 92400 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 14000 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1510 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 192 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 58.6 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 45.3 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 2,52 x 105 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 2,51 x 105 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 2,47 x 105 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 2,16 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 1550 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Germ: 25 °C | (1) ACD |
| logD | 7.40 | pH 1; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 7.40 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 7,397±0,598 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 1,3 x 10-4 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-4 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-4 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-4 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,5 x 10-4 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,5 x 10-4 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,3 x 10-3 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,021 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,17 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,55 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,69 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,3 x 10-3 g/L | pH ava nebuffered 5,73; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 2,1 x 10-7 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,1 x 10-7 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,1 x 10-7 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,1 x 10-7 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,4 x 10-7 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,5 x 10-7 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,6 x 10-6 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,4 x 10-5 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,7 x 10-4 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 8,7 x 10-4 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 1,1 x 10-3 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,1 x 10-6 mol/L | pH ava nebuffered 5,73; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 631.80 | ||
| pKa | 4,78±0,10 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | -2,31±0,60 | Germahiya herî bingehîn: 25 °C | (1) ACD |
| Vapor Pressure | 1,42 x 10-25 Torr | Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,154±0,06 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 547,3±3,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 20 | (1) ACD | |
| H Qebûrker | 8 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 10 | (1) ACD | |
| logP | 7,397±0,598 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 631.80 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 106 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Termal
| Mal | Giranî | Rewş | Kanî |
| Xala kelandinê | 779,4±60,0 °C | Çapemenî: 760 Torr | (1) ACD |
| Entalpiya Vaporîzasyonê | 118,97±3,0 kJ/mol | Çapemenî: 760 Torr | (1) ACD |
| Flash Point | 425,2±32,9 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
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