C44h49n5o7di Adenosine, N-Benzoyl-5'th feniLmetyil] -2'- O DimetylizaliL] - (9ci, ACI)
Asosiy jismoniy xususiyatlar | Qiymati | Shart |
Molekulyar og'irlik | 787.98 | - |
Zichlik (bashorat qilingan) | 1.23 ± g / sm3 | Temp: 20 ° C; Matbuot: 760 tor |
PKA (bashorat qilingan) | 7.87 ± 0.43 | Aksariyat kislotali temp: 25 ° C |
Kanronilik tabassum
O = c (NC1 = NC2 = CN2C3OC (CC) c c3o (C) c) c (c) c) c) c) c) c) c) c) c) c) C = 7c = cc7
Izomerik tabassumlar
C (OC [C @ H] ([C @ H] (C) c) (c) c) [C) c) [C) c) [c) c) [c) c) [c) c) [n = c2) = c (n = c2) = c (n = c2) = C (n C (= O) C4 = CC = CC = C4) n = cn3) (C5 = CC = C4) (C5 = CC = C4) c7 = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc
Kelini
Indi = 1S / C44H49N5O7SI / C1-43 (27-42) 56-38-37-37-36-36-36-36-36-36-36-36-36-36-36-36-36 (51) 49) 49-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,
45,46,48,51) / T35-, 37-, 38-, 42- / s1
Inchi tugmachasi
Dazigapasnjcj-gnecsjiwsa-n
Ushbu moddaning yana 2 ismi
N-Benzoyl-5'-o - [BIS (4-metvetyl) feniLmetil] -2'-o - [(1,1-dyetetriletil) Dimetozine (ACI); N6-BEZTOLL-5'-O (4,4'- simetoksytritytritterl) -2'-o. (Tert-Butikdimetylsill) Adenosine
Spektr mavjud
1H nmr
Hetero NMR
Xususiyatlar mavjud |
Biologik |
Kimyoviy |
Zichlik |
Litski |
Tuzilishi bilan bog'liq |
Biologik
Mulk | Qiymati | Shart | Manba |
Bioconterstratsion omil | 1.00 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.00 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 5.41 x 105 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Kimyoviy
Mulk | Qiymati | Shart | Manba |
Koc | 2.01 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 6.87 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 9.08 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 9.38 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 9.39 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 9.19 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 7.53 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Koc | 2.73 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 4.48 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 1.31 x 105 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 9,62 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 10.15 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 10.27 | pH 3; Temp: 25 ° C | (1) ACD |
logd | 10.29 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 10.29 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 10.28 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 10.19 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 9.75 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 8.97 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 8.43 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 10.291 ± 0,708 | Temp: 25 ° C | (1) ACD |
Ommaviy eriylik | 1.1 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 4.8 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.4 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.1 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.0 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.0 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.0 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.3 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.5 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 2.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 7.6 x 10-5 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.3 x 10-6 g / l | Neytral suv pH 7.00; Temp: 25 ° C | (1) ACD |
Molyar ichidagi eriylik | 1.4 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.1 x 10-9 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.8 x 10-9 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.4 x 10-9 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.3 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.3 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Molyar eriylik | 1.3 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.6 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 4.5 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 2.8 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 9.6 x 10-8 MO mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.6 x 10-9 mol / l | Neytral suv pH 7.00; Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 787.98 | ||
pka | 7.87 ± 0.43 | Aksariyat kislotali temp: 25 ° C | (1) ACD |
pka | 1.39 ± 0.10 | Eng asosiy temp: 25 ° C | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Zichlik
Mulk | Qiymati | Shart | Manba |
Zichlik | 1.23 ± g / sm3 | Temp: 20 ° C; Matbuot: 760 tor | (1) ACD |
Molyar hajmi | 639.5 ± 7.0 sm3 / mol | Temp: 20 ° C; Matbuot: 760 tor | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Litski
Mulk | Qiymati | Shart | Manba |
Erkin aylanadigan aloqalar | 14 | (1) ACD | |
H maqolalari | 12 | (1) ACD | |
H donorlar | 2 | (1) ACD | |
H donor / qabul summasi | 14 | (1) ACD | |
logp | 10.291 ± 0,708 | Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 787.98 |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Tuzilishi bilan bog'liq
Mulk | Qiymati | Shart | Manba |
Polar sirt maydoni | 139 A2 | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Spektr mavjud
1H nmr
NMR nmr