C41H41N5O8 Adenosine, N-Benzoyl-5'-O - [Metoxyyetil] - (2-metoksitetil) - (9ci, ACI)
Asosiy jismoniy xususiyatlar | Qiymati | Shart |
Molekulyar og'irlik | 731.79 | - |
Erish nuqtasi (tajriba) | 119-121 ° C | - |
Zichlik (bashorat qilingan) | 1.31 ± 0 g / sm3 | Temp: 20 ° C; Matbuot: 760 tor |
PKA (bashorat qilingan) | 7.87 ± 0.43 | Aksariyat kislotali temp: 25 ° C |
Canonik tabassum o = c (nc1 = nc2 = cn2c3oc (CC) C C = C5) c (OC) c6) c = 7c = cc7
Izomerik tabassumlar
C (OC [C @ H] (C@ O h] (NC (= CC = C4) c4 = c1 = c4) c4 = c4 c4) (C5 = CC = C (OC) c
= C6) c7 = cc = cc = c7
Kelini
InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34)46)45-39(48)27-10-6-4-7-11-27)24-53- 41 (28-12-8-5-9-132,28,21-31) 19-15-29) 30-16-20-32 (51-20-35,35-25,25-36,40,45,47), 22-24h2,1,1-3h3, (H, 42,43,45,48) / T33-, 35-, 40, 40, 40, 40, 40, 40,3,3, 40,3,3,3,3,3,6 gacha
Inchi tugmachasi
Kevmxgndtkpsmc-mumpvvma-n
Ushbu moddaning boshqa ismlari
N-benzoyl-5'-o. [BIS (4-metvoksilyil) fenilametil] (2-metoxyetil) Adenosine (ACI); 17: PN: AQSh20030211606 sahifa: 19 Taqikli ketma-ketlik; 18: PN: AQSh20040005569 sahifa: 22 ta da'vo qilingan ketma-ketlik; 20: PN: AQSh20040006030 sahifa: 23 ta da'vo qilingan ketma-ketlik; 20: PN: AQSh20040014047 sahifa: 21 ta da'vo qilingan ketma-ketlik; 20: PN: AQSh20040014049 sahifa: 21 ta da'vo qilingan ketma-ketlik; 21: PN: AQSh20040005570 sahifa
E: 20 ta da'vo qilingan ketma-ketlik; 21: PN: AQSh20040014048 sahifa: 21 ta da'vo qilingan ketma-ketlik; 21: PN: AQSh20040014050 sahifasi: 20 ta da'vo qilingan ketma-ketlik; 22: PN: AQSh20040005565 sahifa: 17- 22 ketma-ketlik. 22: PN: AQSh20040014051 sahifa: 23 ta da'vo qilingan ketma-ketlik; 23: PN: AQSh20040 014699 sahifa: 20 ta da'vo qilingan ketma-ketlik; 24: PN: AQSh20040006029 sahifa: 23 ta da'vo qilingan ketma-ketlik; 24: pn: wo03106645 sahifa: 73 ta da'vo qilingan ketma-ketlik; 5'-DIMETOXYTRYTRUML-2'-O (2-metoxyetil) --N6-Benzoyl Adenosi; 95: PN: AQSh20040005707 sahifa: 20 ta da'vo qilingan ketma-ketlik
Xususiyatlar mavjud |
Issiqlik |
Issiqlik
Mulk | Qiymati | Shart | Manba |
Erish nuqtasi | 119-121 ° C | (1) Cas |
(1) Penjarla, Srishiylam; Nukleosidlar, nukleotidlar va nuklein kislotalar, (4), 232-247, kaplo'm
Spektr mavjud
1H nmr
NMR nmr
Xususiyatlar mavjud |
Biologik |
Kimyoviy |
Zichlik |
Litski |
Tuzilishi bilan bog'liq |
Biologik
Mulk | Qiymati | Shart | Manba |
Bioconterstratsion omil | 31700 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.43 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.48 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.48 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.45 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.19 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 43000 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 7050 | PH 9; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Bioconterstratsion omil | 2060 yil | 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 | 37400 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 1.28 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 1.69 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.74 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 1.74 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.71 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.40 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 50700 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 8320 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 2430 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 6.44 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 6.97 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 7.09 | pH 3; Temp: 25 ° C | (1) ACD |
logd | 7.11 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 7.11 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 7.10 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 7.01 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 6.57 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 5.78 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 5.25 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
Ommaviy eriylik | 5.6 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 2.6 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 7.3 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 5.8 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 5.6 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 5.6 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 5.7 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 7.0 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Ommaviy eruvchanlik | 1.9 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.2 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 4.0 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 7.0 x 10-6 g / l | Neytral suv pH 7.00; Temp: 25 ° C | (1) ACD |
Molyar ichidagi eriylik | 7.6 x 10-9 MOU / l | Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.6 X 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.0 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 7.9 x 10-9 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 7.7 X 10-9 MOU / l | PH 4; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 7.7 X 10-9 MOU / l | PH 5; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 7.8 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 9.6 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 2.6 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 5.5 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 9.5 x 10-9 mol / l | Neytral suv pH 7.00; Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 731.79 | ||
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 | 1.31 ± 0 g / sm3 | Temp: 20 ° C; Matbuot: 760 tor | (1) ACD |
Molyar hajmi | 556.9 ± 7.0 cm3 / 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 | 15 | (1) ACD | |
H maqolalari | 13 | (1) ACD | |
H donorlar | 2 | (1) ACD | |
H donor / qabul summasi | 15 | (1) ACD | |
Mulk | Qiymati | Shart | Manba |
logp | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 731.79 |
(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 | 148 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