![C41H39NO6 1-pyrrolidineCarboxylic acid, 2-[Bis (4-methoxyphenyl) fenielmm ethoxy] metiel] -4-hidroksy-, 9h-fluoren-9-ylmethylester, (2s, 4r)-(9 ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-pyrrolidineCarboxylic acid, 2-[Bis (4-methoxyphenyl) fenielmm ethoxy] metiel] -4-hydroxy-, 9h-fluoren-9-ylmethyl ester, (2s, 4r)-(9 ci, ACI) het beeld](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-pyrrolidineCarboxylic acid, 2-[Bis (4-methoxyphenyl) fenielmm ethoxy] metiel] -4-hidroksy-, 9h-fluoren-9-ylmethylester, (2s, 4r)-(9 ci, ACI)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 641.75 | - |
| Kookpunt (voorspel) | 768,7 ± 60,0 ° C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,237 ± 0,06 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 14,50 ± 0,40 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c (occ1c = 2c = cc = cc2c = 3c = cc = cc31) n4cc (o) cc4coc (c = 5c = cc = cc5) (c6 = cc = c (oc) c = c6) c7 = cc = c (oc) c = c (c7
Isomere glimlagte C (OC [C@H] 1N (C (OCC2C = 3C (C = 4C2 = CC = CC4) = CC = CC3) = O) C [C@H] (O) C1) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C = C7 = CC = CC = C7
Duim
Inchi = 1S/C41H39NO6/C1-45-33-20-16-29 (17-21-33) 41 (28-10-4-3-5-11-28,30-38-22-34 (46-2) 23-19-30) 48-26-31-24-32 (43) 25-42 (31) 40 (40 (31) 44) 47-27-39-37-14-8-6-12-35 (37) 36-13-7-9-15-38 (36) 39/H3-23,31-32,39,43H, 24-27H2,1-2H3/T31-, 32+/M0/S1
Inchi -sleutel
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2 ander name vir hierdie stof
1-pyrrolidineCarboxylic acid, 2-[[bis (4-methoxyphenyl) fenielmethoxy] metiel] -4-hydroxy-, 9h-fluoren-9-ylmetylester, (2S-trans)-(ZCI); 9H-fluoren-9-ylmethyl (2S, 4R) -2-[Bis (4-methoxyphenyl) fenielmethoxy] metiel] -4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| KOC | 7,70 x 105 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 7,70 x 105 | Ph 10; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logd | 8.29 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 4,7 x 10-6 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,7 x 10-6 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 7.3 x 10-9 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7.3 x 10-9 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 641.75 | ||
| pka | 14,50 ± 0,40 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | -3,24 ± 0,60 | Die meeste basiese temp: 25 ° C | (1) ACD |
| Dampdruk | 7.42 x 10-25 Torr | Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,237 ± 0,06 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 518,4 ± 3,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 12 | (1) ACD | |
| H Acceptors | 7 | (1) ACD | |
| H -donateurs | 1 | (1) ACD | |
| H Skenker/Acceptor Sum | 8 | (1) ACD | |
| logp | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 641.75 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 77.5 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Termies
| Eiendom | Waarde | Toestand | Bron |
| Kookpunt | 768,7 ± 60,0 ° C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 117,42 ± 3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 418,7 ± 32,9 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
13C NMR
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