![C41H39NO6 1-pýrróólídínekarboxýlsýra, 2-[[bis (4-metoxýfenýl) fenýlm etoxý] metýl] -4-hýdroxý-, 9H-flúoren-9-hjóletýl ester, (2s, 4R)-(9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-pýrróólídínekarboxýlsýra, 2-[[bis (4-metoxýfenýl) fenýlm etoxý] metýl] -4-hýdroxý-, 9H-flúoren-9-ýlmetýl ester, (2s, 4R)-(9 CI, ACI) lögun mynd.](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-pýrróólídínekarboxýlsýra, 2-[[bis (4-metoxýfenýl) fenýlm etoxý] metýl] -4-hýdroxý-, 9H-flúoren-9-hjóletýl ester, (2s, 4R)-(9 CI, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 641.75 | - |
| Suðumark (spáð) | 768,7 ± 60,0 ° C. | Press: 760 Torr |
| Þéttleiki (spáð) | 1,237 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 14,50 ± 0,40 | Sýrtasta temp: 25 ° C |
Canonical bros 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 = C7
Isomeric bros 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 = C6) C7 = CC = CC = C7
Tommur
Inchi = 1s/C41H39NO6/C1-45-33-20-16-29 (17-21-33) 41 (28-10-4-3-5-11-28,30-18-22-34 (46-2) 23-19-30) 48-26-31-24-32 (43) 25-42 (31) 40 (31) (31) 40 (31) (31) 40 (31) (31) 40 ( 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 lykill
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2 önnur nöfn fyrir þetta efni
1-pýrróólídínekarboxýlsýra, 2-[[BIS (4-metoxýfenýl) fenýlmetoxý] metýl] -4-hýdroxý-, 9H-flúoren-9-kretýl ester, (2S-trans)-(ZCI); 9H-flúoren-9-ýtmetýl (2s, 4r) -2-[[bis (4-metoxýfenýl) fenýlmetoxý] metýl] -4-hýdroxý-1-pýrrólidínekarboxýlat (ACI) -4
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
| Hitauppstreymi |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 1,00 x 106 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Efni
| Eign | Gildi | Ástand | Uppspretta |
| 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 |
| Eign | Gildi | Ástand | Uppspretta |
| 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 eðlislægni | 4,7 x 10-6 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,7 x 10-6 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 7,3 x 10-9 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Molar leysni | 7,3 x 10-9 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,3 x 10-9 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 641.75 | ||
| PKA | 14,50 ± 0,40 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | -3,24 ± 0,60 | Grundvöllurinn: 25 ° C | (1) ACD |
| Gufuþrýstingur | 7,42 x 10-25 torr | Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Þéttleiki
| Eign | Gildi | Ástand | Uppspretta |
| Þéttleiki | 1,237 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 518,4 ± 3,0 cm3/mól | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eign | Gildi | Ástand | Uppspretta |
| Frjálslega snúningsbönd | 12 | (1) ACD | |
| H samþykki | 7 | (1) ACD | |
| H styrktaraðilar | 1 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 8 | (1) ACD | |
| logp | 8.289 ± 0,729 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 641.75 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 77.5 A2 | (1) ACD | |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Hitauppstreymi
| Eign | Gildi | Ástand | Uppspretta |
| Suðumark | 768,7 ± 60,0 ° C. | Press: 760 Torr | (1) ACD |
| Enthalpy af gufu | 117,42 ± 3,0 kJ/mól | Press: 760 Torr | (1) ACD |
| Flashpunktur | 418,7 ± 32,9 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði
1H NMR
13c nmr
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