![C31H30N2O7 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-7-metil-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 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-7-metil-, (2R,3R,3aS,9aR)- (9CI, ACI) Tavsiya etilgan rasm](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 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-7-metil-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
| Molekulyar og'irlik | 542,58 | - |
| Qaynoq nuqtasi (taxmin qilingan) | 692,9±65,0 °C | Matbuot: 760 Torr |
| Zichlik (taxmin qilingan) | 1,33±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
| pKa (taxmin qilingan) | 12,51±0,60 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C1N=C2OC3C(O)C(OC3N2C=C1C)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=C(C)C(=O)N3)[H] )[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26(34)25(39-29)18-38-31(20- 7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1 /s1
InChI kaliti
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Ushbu moddaning boshqa nomi
(2R,3R,3aS,9aR)-2-[[Bis(4-metoksifenil)fenilmetoksi]metil]-2,3,3a,9a-tetrahidro-3-gidroksi-7-metil-6H-furo[2', 3′:4,5]oksazolo [3,2-a]pirimidin-6-bir (ACI)
Spektrlar mavjud
1H NMR
13C NMR
Massa
| Xususiyatlari mavjud |
| Biologik |
| Kimyoviy |
| Zichlik |
| Lipinskiy |
| Tuzilishi bilan bog'liq |
| Termal |
Biologik
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 2800 | pH 1; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2800 | pH 2; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2800 | pH 3; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2800 | pH 4; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2800 | pH 5; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2800 | pH 6; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2800 | pH 7; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2800 | pH 8; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2800 | pH 9; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2790 | 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 | 10200 | pH 1; Harorat: 25 °C | (1) ACD |
| Koch | 10200 | pH 2; Harorat: 25 °C | (1) ACD |
| Koch | 10200 | pH 3; Harorat: 25 °C | (1) ACD |
| Koch | 10200 | pH 4; Harorat: 25 °C | (1) ACD |
| Koch | 10200 | pH 5; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Koch | 10200 | pH 6; Harorat: 25 °C | (1) ACD |
| Koch | 10200 | pH 7; Harorat: 25 °C | (1) ACD |
| Koch | 10200 | pH 8; Harorat: 25 °C | (1) ACD |
| Koch | 10200 | pH 9; Harorat: 25 °C | (1) ACD |
| Koch | 10200 | pH 10; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 1; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 2; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 3; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 4; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 5; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 6; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 7; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 8; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 9; Harorat: 25 °C | (1) ACD |
| logD | 4.84 | pH 10; Harorat: 25 °C | (1) ACD |
| logP | 4,839±0,618 | Harorat: 25 °C | (1) ACD |
| Massaning ichki eruvchanligi | 3,6 x 10-4 g/l | Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 1; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 2; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 3; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 4; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 5; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 6; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 7; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 8; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 9; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | pH 10; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 3,6 x 10-4 g/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
| Molar ichki eruvchanligi | 6,6 x 10-7 mol/L | Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,7 x 10-7 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,6 x 10-7 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 542,58 | ||
| pKa | 12,51±0,60 | Eng kislotali harorat: 25 °C | (1) ACD |
| pKa | -4,38±0,60 | Eng asosiy harorat: 25 °C | (1) ACD |
| Bug 'bosimi | 3,73 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 | 1,33±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
| Molyar hajm | 404,9±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 | |
| H qabul qiluvchilar | 9 | (1) ACD | |
| H Donorlar | 1 | (1) ACD | |
| H Donor/akseptor summasi | 10 | (1) ACD | |
| logP | 4,839±0,618 | Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 542,58 |
(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 | 692,9±65,0 °C | Matbuot: 760 Torr | (1) ACD |
| Bug'lanish entalpiyasi | 106,61±3,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
| O't olish nuqtasi | 372,8±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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![C41H41N5O8 Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-(2-metoksietil)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C41H49FN5O8P Sitidin, N-asetil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - deoksi-2' -ftor-, 3' - [2-siyanoetil N,N-bis(1-metiletil) fosfor amidit] (ACI)](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine-300x300.png)