![C38H49NO7 1- Pyrrolidinedodecanoic suur, 2- [[bis(4-metoksifeniel)fenielmetoksie]metiel]-4-hidroksi-λ-okso-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Pyrrolidinedodecanoic suur, 2- [[bis(4-metoksifeniel)fenielmetoksie]metiel]-4-hidroksi-λ-okso-, (2S,4R)- (ACI) Uitgestalte beeld](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidinedodecanoic suur, 2- [[bis(4-metoksifeniel)fenielmetoksie]metiel]-4-hidroksi-λ-okso-, (2S,4R)- (ACI)
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 631,80 | - |
| Kookpunt (voorspel) | 779,4±60,0 °C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,154±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr |
| pKa (Voorspel) | 4,78±0,10 | Mees suur Temp: 25 °C |
Kanoniese SMILES O=C(O)CCCCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
Isomere GLIMLAG 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-sleutel
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Ander naam vir hierdie stof
(2S,4R)-2-[[Bis(4-metoksifeniel)fenielmetoksi]metiel]-4-hidroksi-λ-okso-1-pirrolidinedodekaansuur (ACI)
| Eiendomme beskikbaar |
| Biologiese |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologiese
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 2,46 x 105 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 2,46 x 105 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 2,42 x 105 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 2,11 x 105 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 92400 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 14 000 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1510 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 192 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 58,6 | pH 9;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 45,3 | pH 10;Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| Koc | 2,52 x 105 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 2,51 x 105 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 2,47 x 105 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 2,16 x 105 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 94500 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 14300 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 1550 | pH 7;Temp: 25 °C | (1) ACD |
| Koc | 196 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 59,9 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 46,3 | pH 10;Temp: 25 °C | (1) ACD |
| logD | 7.40 | pH 1;Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logD | 7.40 | pH 2;Temp: 25 °C | (1) ACD |
| logD | 7,39 | pH 3;Temp: 25 °C | (1) ACD |
| logD | 7,33 | pH 4;Temp: 25 °C | (1) ACD |
| logD | 6,97 | pH 5;Temp: 25 °C | (1) ACD |
| logD | 6.15 | pH 6;Temp: 25 °C | (1) ACD |
| logD | 5.19 | pH 7;Temp: 25 °C | (1) ACD |
| logD | 4,29 | pH 8;Temp: 25 °C | (1) ACD |
| logD | 3,77 | pH 9;Temp: 25 °C | (1) ACD |
| logD | 3,66 | pH 10;Temp: 25 °C | (1) ACD |
| logP | 7,397±0,598 | Temp: 25 °C | (1) ACD |
| Massa Intrinsieke Oplosbaarheid | 1,3 x 10-4 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,3 x 10-4 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,3 x 10-4 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,3 x 10-4 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,5 x 10-4 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 3,5 x 10-4 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 2,3 x 10-3 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,021 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,17 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,55 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,69 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,3 x 10-3 g/L | Ongebufferde water pH 5,73;Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 2,1 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,1 x 10-7 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,1 x 10-7 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,1 x 10-7 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,4 x 10-7 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 5,5 x 10-7 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 3,6 x 10-6 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 3,4 x 10-5 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,7 x 10-4 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 8,7 x 10-4 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre Oplosbaarheid | 1,1 x 10-3 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,1 x 10-6 mol/L | Ongebufferde water pH 5,73;Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 631,80 | ||
| pKa | 4,78±0,10 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | -2,31±0,60 | Mees Basiese Temp: 25 °C | (1) ACD |
| Dampdruk | 1,42 x 10-25 Torr | Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,154±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
| Molêre volume | 547,3±3,0 cm3/mol | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 20 | (1) ACD | |
| H Aanvaarders | 8 | (1) ACD | |
| H Skenkers | 2 | (1) ACD | |
| H Skenker/Aanvaarder Som | 10 | (1) ACD | |
| logP | 7,397±0,598 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 631,80 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Polêre Oppervlakte | 106 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Termies
| Eiendom | Waarde | Toestand | Bron |
| Kookpunt | 779,4±60,0 °C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 118,97±3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 425,2±32,9 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikbaar
1H KMR
13C KMR
![C45H56N7O9P Guanosien, 5'-O- [bis(4-metoksifeniel)fenielmetiel]-2'-O-metiel-N-(2-metiel-1-oksopropyl)-, 3' – [2-sianoetiel N,N-bis (1-metieletiel) fosforamidiet] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C43H55N4O10P Uridien, 5'-O- [bis(4-metoksifeniel)fenielmetiel]-2'-O-(2-metoksietiel)- 5-metiel-, 3' – [2-sianoetiel N,N-bis(1- metieletiel)fosforamidiet] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)