![C38H49NO7 1- Asid pyrolidinedodecanoig, 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- Asid pyrolidinedodecanoig, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI) Image](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Asid pyrolidinedodecanoig, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 631.80 | - |
| Berwbwynt (Rhagweld) | 779.4±60.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagweld) | 1.154 ± 0.06 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
| pKa (Rhagweld) | 4.78±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
Canonaidd gwenu 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(CCCCCCCCCCC(O)=O)=O)C)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
Allwedd InChI
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Enw Arall ar y Sylwedd hwn
(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-ocso-1-asid pyrrolidinedodecanoig (ACI)
| Eiddo ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Strwythur Cysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 2.46 x 105 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 2.46 x 105 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 2.42 x 105 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 2.11 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 92400 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 14000 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1510 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 192 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 58.6 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 45.3 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 2.52 x 105 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 2.47 x 105 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 2.16 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 1550 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 7.40 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logD | 7.40 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 1.3 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.3 x 10-4 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.3 x 10-4 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.3 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.5 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 3.5 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 2.3 x 10-3 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.021 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.17 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.55 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.69 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 1.3 x 10-3 g/L | Dŵr heb ei glustogi pH 5.73; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 2.1 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.1 x 10-7 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.1 x 10-7 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.1 x 10-7 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.4 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 5.5 x 10-7 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.6 x 10-6 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.4 x 10-5 môl/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.7 x 10-4 môl/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.7 x 10-4 môl/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 1.1 x 10-3 môl/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.1 x 10-6 mol/L | Dŵr heb ei glustogi pH 5.73; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 631.80 | ||
| pKa | 4.78±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 1.42 x 10-25 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.154 ± 0.06 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 547.3 ±3.0 cm3/mol | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 20 | (1) ACD | |
| H Derbynwyr | 8 | (1) ACD | |
| H Rhoddwyr | 2 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 10 | (1) ACD | |
| logP | 7.397±0.598 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 631.80 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Strwythur Cysylltiedig
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Pegynol | 106 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Berwbwynt | 779.4±60.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi o Anweddu | 118.97 ±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt fflach | 425.2±32.9 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1H NMR
13C NMR
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