![C38H49NO7 1- searbhag pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- searbhag pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI) Ìomhaigh Sònraichte](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- searbhag pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 631.80 | - |
| Puing Goil (Ro-innse) | 779.4±60.0 °C | Brùthadh: 760 Torr |
| Dlùths (Ro-innse) | 1.154±0.06 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr |
| pKa (Ro-innse) | 4.78±0.10 | Teòthachd as searbhaiche: 25 °C |
Gàire Canònach O=C(O)CCCCCCCCCCC(=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
Iuchair InChI
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Ainm eile airson an stuth seo
(2S,4R)-2-[[Bis(4-methocsaiphenyl)phenylmethocsai]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Togalaichean a tha rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dlùths |
| Lipinski |
| Co-cheangailte ri Structar |
| Teirmeach |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 2.46 x 105 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2.46 x 105 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2.42 x 105 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2.11 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 92400 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 14000 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1510 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 192 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 58.6 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 45.3 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 2.52 x 105 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.51 x 105 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.47 x 105 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.16 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 94500 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 14300 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1550 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 196 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 59.9 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 46.3 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 7.40 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logD | 7.40 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Tomad | 1.3 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.3 x 10-4 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.3 x 10-4 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.3 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.5 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.5 x 10-4 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.3 x 10-3 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.021 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.17 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.55 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.69 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.3 x 10-3 g/L | Uisge gun bhùfradh pH 5.73; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 2.1 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.1 x 10-7 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.1 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.1 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.4 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 5.5 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.6 x 10-6 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.4 x 10-5 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.7 x 10-4 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 8.7 x 10-4 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd Mhòlar | 1.1 x 10-3 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.1 x 10-6 mol/L | Uisge gun bhùfradh pH 5.73; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 631.80 | ||
| pKa | 4.78±0.10 | Teòthachd as searbhaiche: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Teòthachd as Bunasaiche: 25 °C | (1) ACD |
| Brùthadh-smùide | 1.42 x 10-25 Torr | Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlùths
| Seilbh | Luach | Suidheachadh | Stòr |
| Dlùths | 1.154±0.06 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
| Meud Molar | 547.3±3.0 cm3/mol | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 20 | (1) ACD | |
| Gabhadairean H | 8 | (1) ACD | |
| Luchd-tabhartais H | 2 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 10 | (1) ACD | |
| logP | 7.397±0.598 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 631.80 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon Uachdar Pòlach | 106 A2 | (1) ACD | |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Puing Goil | 779.4±60.0 °C | Brùthadh: 760 Torr | (1) ACD |
| Enthalpaidh an t-Smùideachaidh | 118.97±3.0 kJ/mol | Brùthadh: 760 Torr | (1) ACD |
| Puing Flash | 425.2±32.9 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speactra ri fhaighinn
1H NMR
13C NMR
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