C53h66n7o8psia cas-xabar: 104992-55-4 Adenozine, N-Benzoyl-5 'feniLmetil] -2' -, -, 3 '- [2 Cyanoodoetil N, n-BIS (1- metiletil) fosforamidit] (ACI)
Kasb registr raqami
104992-55-4
Asosiy jismoniy xususiyatlar | Qiymati | Shart |
Molekulyar og'irlik | 988.19 | - |
PKA (bashorat qilingan) | 7.87 ± 0.43 | Aksariyat kislotali temp: 25 ° C |
Kanronilik tabassum
N # cccop (OC1C (N2C = NC = NC = CC32) C = 4c = ccc = cc5) c (c) c) C7 = C6) C7 = Cc = c (OC) C = C7) n (c) c) c (c) c
Izomerik tabassumlar
C (OC [C @@ H] c) c (c) c) (c) c) (C) c) (C) c) N = cn3) (c5 = cc = c (OC) C = C5) (C6 = CC = C6) c7 = cc = cc = c7 c7
Kelini
Indi = 1s / c53h66n7o8psi / c1-36-44 (33-64-5-14,4-22-4-22-22-22-2-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-2-22-22-22-22-22-242) ) 41-25-29-43 (63-9) 30-26-41) 66-51 (47 (46) 68-70-49 (45) 59) 58-50-14-14-15-14-14-14-20-38 / H1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47-,51-,69?/m1/s1
Inchi tugmachasi
Ffhhncnnnhasxct-rfmfgjhusa-n
1 Ushbu modda uchun boshqa ism
Adenosasin,N-benzoyl-5 '-O- [BIS (4-metvophyil) feniLmetil] -2 '-O- [(1,1-difetetriletil) -, 3 '- [2 ciqoodoetil bis (1- metiletil) fosforamidit] (9CI)
Spektr mavjud
Massa
Xususiyatlar mavjud
Biologik
Kimyoviy
Litski
Tuzilishi bilan bog'liq
Mulk | Qiymati | Shart | Manba |
Bioconterstratsion omil | 5.50 x 105 | 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 | 1.00 x 106 | 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
Mulk | Qiymati | Shart | Manba |
Koc | 61500 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 1.64 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 3.20 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Koc | 9.24 x 105 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 8.81 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 10.24 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 11.24 | pH 3; Temp: 25 ° C | (1) ACD |
logd | 11.73 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 11.83 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 11.83 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 11.75 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 11.31 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 10.53 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 9.99 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 11.845 ± 0.715 | Temp: 25 ° C | (1) ACD |
Ommaviy eriylik | 1.2 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.5 x 10-3 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.1 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 9.9 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.4 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 2.7 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 2.7 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.2 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 8.9 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 6.3 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 4.2 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.2 x 10-6 g / l | Neytral suv pH 7.00; Temp: 25 ° C | (1) ACD |
Molyar ichidagi eriylik | 1.2 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.5 x 10-6 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.1 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.0 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.4 X 10-9 MO mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 2.7 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 2.7 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.2 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Molyar eriylik | 9.0 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.4 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 4.2 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.2 x 10-9 mol / l | Neytral suv pH 7.00; Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 988.19 | ||
pka | 7.87 ± 0.43 | Aksariyat kislotali temp: 25 ° C | (1) ACD |
pka | 3.45 ± 0,70 | 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
Mulk | Qiymati | Shart | Manba |
Erkin aylanadigan aloqalar | 21 | (1) ACD | |
H maqolalari | 15 | (1) ACD | |
H donorlar | 1 | (1) ACD | |
H donor / qabul summasi | 16 | (1) ACD | |
logp | 11.845 ± 0.715 | Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 988.19 |
Mulk | Qiymati | Shart manbai |
Polar sirt maydoni | 178 A2 | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Ilg'or kimyoviy rivojlanish (ACD / Labs) dasturi v11.02 (© 1994-2023 ACD / Labs)
Spektr mavjud
1 h nmr
13 c nmr