![C20H31NO5 Geptanoik kislota, 3-gidroksi-5-metil-4-[[(fenilmetoksi)karbonil]amino]-, 1,1-dimetiletil efir, [3R-(3R*,4S*,5S*)]- (9CI) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 Geptanoik kislota, 3-gidroksi-5-metil-4-[[(fenilmetoksi)karbonil]amino]-, 1,1-dimetiletil efir, [3R-(3R*,4S*,5S*)]- (9CI) H301 Tavsiya etilgan rasm](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 Geptanoik kislota, 3-gidroksi-5-metil-4-[[(fenilmetoksi)karbonil]amino]-, 1,1-dimetiletil efir, [3R-(3R*,4S*,5S*)]- (9CI) H301
| Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
| Molekulyar og'irlik | 365.46 | - |
| Qaynoq nuqtasi (taxmin qilingan) | 504,1±50,0 °C | Matbuot: 760 Torr |
| Zichlik (taxmin qilingan) | 1,091±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
| pKa (taxmin qilingan) | 11,82±0,46 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
Izomerik tabassumlar [C@H]([C@@H](CC(OC(C)(C)C)=O)O)(NC(OCC1=CC=CC=C1)=O)[C@H](CC)C
InChI
InChI=1S/C20H31NO5/c1-6-14(2)18(16(22)12-17(23)26-20(3,4)5)21- 19(24)25-13-15-10-8-7-9-11-15/h7-11,14,16,18,22H,6,12-13H2,1-5 H3,(H,21,24)/t14-,16+,18-/m0/s1
InChI kaliti
AZTSBAWJROLRIQ-LESCRADOSA-N
| Xususiyatlari mavjud |
| Biologik |
| Kimyoviy |
| Zichlik |
| Lipinskiy |
| Tuzilishi bilan bog'liq |
| Termal |
Biologik
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 616 | pH 1; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 617 | pH 2; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 617 | pH 3; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 617 | pH 4; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 617 | pH 5; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 617 | pH 6; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 617 | pH 7; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 617 | pH 8; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 616 | pH 9; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 604 | 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 | 3450 | pH 1; Harorat: 25 °C | (1) ACD |
| Koch | 3460 | pH 2; Harorat: 25 °C | (1) ACD |
| Koch | 3460 | pH 3; Harorat: 25 °C | (1) ACD |
| Koch | 3460 | pH 4; Harorat: 25 °C | (1) ACD |
| Koch | 3460 | pH 5; Harorat: 25 °C | (1) ACD |
| Koch | 3460 | pH 6; Harorat: 25 °C | (1) ACD |
| Koch | 3460 | pH 7; Harorat: 25 °C | (1) ACD |
| Koch | 3460 | pH 8; Harorat: 25 °C | (1) ACD |
| Koch | 3450 | pH 9; Harorat: 25 °C | (1) ACD |
| Koch | 3390 | pH 10; Harorat: 25 °C | (1) ACD |
| logD | 3.97 | pH 1; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| logD | 3.97 | pH 2; Harorat: 25 °C | (1) ACD |
| logD | 3.97 | pH 3; Harorat: 25 °C | (1) ACD |
| logD | 3.97 | pH 4; Harorat: 25 °C | (1) ACD |
| logD | 3.97 | pH 5; Harorat: 25 °C | (1) ACD |
| logD | 3.97 | pH 6; Harorat: 25 °C | (1) ACD |
| logD | 3.97 | pH 7; Harorat: 25 °C | (1) ACD |
| logD | 3.97 | pH 8; Harorat: 25 °C | (1) ACD |
| logD | 3.97 | pH 9; Harorat: 25 °C | (1) ACD |
| logD | 3.96 | pH 10; Harorat: 25 °C | (1) ACD |
| logP | 3,974±0,543 | Harorat: 25 °C | (1) ACD |
| Massaning ichki eruvchanligi | 0,062 g/l | Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 1; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 2; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 3; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 4; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 5; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 6; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 7; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 8; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 9; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | pH 10; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,062 g/l | Bufersiz suv pH 6,99; Harorat: 25 °C | (1) ACD |
| Molar ichki eruvchanligi | 1,7 x 10-4 mol/l | Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 1; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 2; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 3; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 4; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 5; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 6; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 7; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 8; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 9; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | pH 10; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,7 x 10-4 mol/l | Bufersiz suv pH 6,99; Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 365.46 | ||
| pKa | 11,82±0,46 | Eng kislotali harorat: 25 °C | (1) ACD |
| pKa | -1,56±0,70 | Eng asosiy harorat: 25 °C | (1) ACD |
| Bug 'bosimi | 5,56 x 10-11 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 | 1,091±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
| Molyar hajm | 334,7±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 | 6 | (1) ACD | |
| H Donorlar | 2 | (1) ACD | |
| H Donor/akseptor summasi | 8 | (1) ACD | |
| logP | 3,974±0,543 | Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 365.46 |
(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 | 84,9 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 | 504,1±50,0 °C | Matbuot: 760 Torr | (1) ACD |
| Bug'lanish entalpiyasi | 81,44±3,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
| O't olish nuqtasi | 258,6±30,1 °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
| Kod | Xavf haqida bayonot | Manba |
| H301 | Yutib yuborilsa toksik | Yevropa kimyo agentligi (ECHA) tasnifi va yorliqlash inventarizatsiyasi - Xabardor qilingan tasnif va yorliqlash - eng keng tarqalgan bildirishnomalar, Yevropa kimyo agentligi (ECHA) tasnifi va etiketkalash inventarizatsiyasi - tasdiqlangan tasnif va etiketkalash - eng jiddiy bildirishnomalar |
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