![C30H28N2O7 6H-Furo[2',3':4,5]oksazolo[3,2-a]pirimidin-6-bir, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahidro-3-gidroksi-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2',3':4,5]oksazolo[3,2-a]pirimidin-6-bir, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahidro-3-gidroksi-, (2R,3R,3aS,9aR)- (9CI, ACI) Tavsiya etilgan rasm](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2',3':4,5]oksazolo[3,2-a]pirimidin-6-bir, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahidro-3-gidroksi-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
| Molekulyar og'irlik | 528,55 | - |
| Erish nuqtasi (eksperimental) | 129,5-130 ° S gacha | - |
| Qaynoq nuqtasi (taxmin qilingan) | 688,2±65,0 °C | Matbuot: 760 Torr |
| Zichlik (taxmin qilingan) | 1,35±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
| pKa (taxmin qilingan) | 12,51±0,40 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Izomerik tabassum C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36-) 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChI kaliti
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Ushbu moddaning boshqa nomlari
(2R,3R,3aS,9aR)-2-[[Bis(4-metoksifenil)fenilmetoksi]metil]-2,3,3a,9a-tetrahidro-3-gidroksi-6H-furo[2',3':4 ,5]oksazolo[3,2-a] pirimidin-6-bir (ACI); 6H-Furo[2',3':4,5]oksazolo[3,2-a]pirimidin-6-bir, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-2,3,3a,9a -
tetrahidro-3-gidroksi-, [2R-(2a,3b,3ab,9ab)]- (ZCI)
| Xususiyatlari mavjud |
| Termal |
Termal
| Mulk | Qiymat | Vaziyat | Manba |
| Erish nuqtasi | 129,5-130 ° S gacha | (1) CAS | |
(1) Szlenkier, Maurycy; Nukleozidlar, nukleotidlar va nuklein kislotalar, (2016), 35(8), 410-425, CAplus
| Spektrlar mavjud |
| 1H NMR |
| 13C NMR |
| IR |
| Massa |
Bashorat qilingan xususiyatlar
| Xususiyatlari mavjud |
| Biologik |
| Kimyoviy |
| Zichlik |
| Lipinskiy |
| Tuzilishi bilan bog'liq |
| Termal |
Biologik
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 1360 | pH 1; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1360 | pH 2; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1360 | pH 3; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1360 | pH 4; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1360 | pH 5; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1360 | pH 6; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1360 | pH 7; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 1360 | pH 8; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1360 | pH 9; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1350 | 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 | 6080 | pH 1; Harorat: 25 °C | (1) ACD |
| Koch | 6080 | pH 2; Harorat: 25 °C | (1) ACD |
| Koch | 6080 | pH 3; Harorat: 25 °C | (1) ACD |
| Koch | 6080 | pH 4; Harorat: 25 °C | (1) ACD |
| Koch | 6080 | pH 5; Harorat: 25 °C | (1) ACD |
| Koch | 6080 | pH 6; Harorat: 25 °C | (1) ACD |
| Koch | 6080 | pH 7; Harorat: 25 °C | (1) ACD |
| Koch | 6080 | pH 8; Harorat: 25 °C | (1) ACD |
| Koch | 6070 | pH 9; Harorat: 25 °C | (1) ACD |
| Koch | 6060 | pH 10; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 1; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 2; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 3; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 4; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 5; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 6; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 7; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 8; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 9; Harorat: 25 °C | (1) ACD |
| logD | 4.42 | pH 10; Harorat: 25 °C | (1) ACD |
| logP | 4,424±0,618 | Harorat: 25 °C | (1) ACD |
| Massaning ichki eruvchanligi | 5,8 x 10-4 g/l | Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 1; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 2; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 3; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 4; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 5; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 6; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 7; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 8; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 9; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | pH 10; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-4 g/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
| Molar ichki eruvchanligi | 1,1 x 10-6 mol/L | Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,1 x 10-6 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 528,55 | ||
| pKa | 12,51±0,40 | Eng kislotali harorat: 25 °C | (1) ACD |
| pKa | -4,70±0,60 | Eng asosiy harorat: 25 °C | (1) ACD |
| Bug 'bosimi | 6,91 x 10-20 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 | 1,35±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
| Molyar hajm | 389,8±7,0 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 | 9 | (1) ACD | |
| Mulk | Qiymat | Vaziyat | Manba |
| H qabul qiluvchilar | 9 | (1) ACD | |
| H Donorlar | 1 | (1) ACD | |
| H Donor/akseptor summasi | 10 | (1) ACD | |
| logP | 4,424±0,618 | Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 528,55 |
(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 | 99,1 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 | 688,2±65,0 °C | Matbuot: 760 Torr | (1) ACD |
| Bug'lanish entalpiyasi | 105,96±3,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
| O't olish nuqtasi | 370,0±34,3 °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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![C10H12N2O5 6H-Furo[2',3':4,5]oksazolo[3,2-a]pirimidin-6-bir, 2,3,3a,9a-tetra ydro-3-gidroksi-2-(gidroksimetil)- 7-metil-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
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