![C41H39NO6 1-pirolidinkarboksilik kislota, 2-[[bis(4-metoksifenil)fenilm etoksi]metil]-4-gidroksi-, 9H-fluoren-9-ilmetil efir, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-pirolidinkarboksilik kislota, 2-[[bis(4-metoksifenil)fenilm etoksi]metil]-4-gidroksi-, 9H-fluoren-9-ilmetil efir, (2S,4R)- (9 CI, ACI)](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-pirolidinkarboksilik kislota, 2-[[bis(4-metoksifenil)fenilm etoksi]metil]-4-gidroksi-, 9H-fluoren-9-ilmetil efir, (2S,4R)- (9 CI, ACI)
| Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
| Molekulyar og'irlik | 641,75 | - |
| Qaynash nuqtasi (taxmin qilingan) | 768,7±60,0 °C | Matbuot: 760 Torr |
| Zichlik (taxmin qilingan) | 1,237±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
| pKa (taxmin qilingan) | 14,50±0,40 | Eng kislotali harorat: 25 °C |
Kanonik tabassum 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
Izomerik tabassum 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
InChI
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( 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 kaliti
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Ushbu moddaning boshqa nomlari
1-pirolidinkarboksilik kislota, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-gidroksi-, 9H-fluoren-9-ilmetil ester, (2S-trans)- (ZCI); 9H-fluoren-9-ilmetil (2S,4R)-2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-gidroksi-1-pirolidinkarboksilat (ACI)
| Xususiyatlari mavjud |
| Biologik |
| Kimyoviy |
| Zichlik |
| Lipinskiy |
| Tuzilishi bilan bog'liq |
| Termal |
Biologik
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 1,00 x 106 | pH 1; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 2; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 3; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 4; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 5; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 6; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 7; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 8; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 9; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 10; Harorat: 25 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Kimyoviy
| Mulk | Qiymat | Vaziyat | Manba |
| Koch | 7,70 x 105 | pH 1; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 2; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 3; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 4; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 8; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 9; Harorat: 25 °C | (1) ACD |
| Koch | 7,70 x 105 | pH 10; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| logD | 8.29 | pH 1; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 4; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Harorat: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Harorat: 25 °C | (1) ACD |
| logP | 8,289±0,729 | Harorat: 25 °C | (1) ACD |
| Massaning ichki eruvchanligi | 4,7 x 10-6 g/l | Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 1; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 2; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 3; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 4; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 5; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 6; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 7; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 8; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 9; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | pH 10; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,7 x 10-6 g/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
| Molar ichki eruvchanligi | 7,3 x 10-9 mol/L | Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 7,3 x 10-9 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 641,75 | ||
| pKa | 14,50±0,40 | Eng kislotali harorat: 25 °C | (1) ACD |
| pKa | -3,24±0,60 | Eng asosiy harorat: 25 °C | (1) ACD |
| Bug 'bosimi | 7,42 x 10-25 Torr | Harorat: 25 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Zichlik
| Mulk | Qiymat | Vaziyat | Manba |
| Zichlik | 1,237±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
| Molyar hajm | 518,4±3,0 sm3/mol | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Lipinskiy
| Mulk | Qiymat | Vaziyat | Manba |
| Erkin aylanadigan obligatsiyalar | 12 | (1) ACD | |
| H qabul qiluvchilar | 7 | (1) ACD | |
| H Donorlar | 1 | (1) ACD | |
| H Donor/akseptor summasi | 8 | (1) ACD | |
| logP | 8,289±0,729 | Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 641,75 |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Tuzilishi bilan bog'liq
| Mulk | Qiymat | Vaziyat | Manba |
| Qutb yuzasi maydoni | 77,5 A2 | (1) ACD | |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Termal
| Mulk | Qiymat | Vaziyat | Manba |
| Qaynash nuqtasi | 768,7±60,0 °C | Matbuot: 760 Torr | (1) ACD |
| Bug'lanish entalpiyasi | 117,42±3,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
| O't olish nuqtasi | 418,7±32,9 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Spektrlar mavjud
1H NMR
13C NMR
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