C50H58N7O9P Adenozine, N-Benzoyl-5 '--2' -, - '(2 Cyanoetiletil) -, 3' (1-Cyanoetil N, n-BIS) (ACI)
Kasb registr raqami
251647-53-7
H302
Asosiy jismoniy xususiyatlar | Qiymati | Shart |
Molekulyar og'irlik | 932.01 | - |
PKA (bashorat qilingan) | 7.87 ± 0.43 | Aksariyat kislotali temp: 25 ° C |
Kanronilik tabassum
N # cccop (OC1C (N2C = NC = NC = CC52) C1occoc = CC4) C1 = CC (C) C) c (c) c) c (c) c
Izomerik tabassumlar
C (OC [C @@ H] c) c (c) c) c (c) c) (@@ o) c4 (= = O) c4 (= = O) c4 = c1 = c4) n = cn3) (C5 = Cc = c (OC) C = C5) (C6 = CC = C (OC) C = C6) c7 = cc = c7
Kelini
Indi = 1S / C50H58N7O9O9A (2) 57 (2) 57 (35-28-14-2-5-18-18-18-303-40-403-40-40 gacha (60-6-303-40-40 gacha) 37-44-303-40-40 gacha 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-34-47 (43) 56) 55-48 (58) 36-16-36 / H8-13,15-26), 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1/s1
Inchi tugmachasi
Vpbylqbhlyrlhg-hdmawcrfsa-n
Ushbu moddaning boshqa ismlari
Adenosasin,N-benzoyl-5 '-O- [BIS (4-metvophyil) feniLmetil] -2 '-O- (2-metoksitetil) -, 3 '- [2 Cyanoetil Bis (1-metiletil)
fosforamidit] (9CI); 16: PN: AQSh20030211606 sahifa: 19 ta da'vo qilingan ketma-ketlik; 16: PN: AQSh20030212017 sahifa: 20 ta da'vo qilingan ketma-ketlik; 17: PN: AQSh20040005569 sahifa: 22 ta da'vo qilingan ketma-ketlik; 19: PN: AQSh20040006030 sahifa: 23 ta da'vo qilingan ketma-ketlik; 19: pn: us20040014047
Sahifa: 21 ta da'vo qilingan ketma-ketlik; 19: PN: AQSh20040014049 sahifa: 21 ta da'vo qilingan ketma-ketlik; 20: PN: AQSh20040005570 sahifa: 20 ta da'vo
ketma-ketlik; 20: PN: AQSh20040014048 sahifa: 21 ta da'vo qilingan ketma-ketlik; 20: PN: AQSh20040014050 sahifasi: 20 ta da'vo qilingan ketma-ketlik; 21: pn: u
S20040005565 sahifa: 17- 22 izohli izlanishlar; 21: PN: AQSh20040014051 sahifa: 23 ta da'vo qilingan ketma-ketlik; 22: PN: AQSh20040014699 sahifa: 20 ta da'vo qilingan ketma-ketlik; 23: PN: AQSh20040006029 sahifa: 23 ta da'vo qilingan ketma-ketlik; 23: pn: wo03106645 sahifa: 73 ta da'vo qilingan ketma-ketlik; 94: P N: US20040005707 sahifa: 20 ta da'vo qilingan ketma-ketlik
Spektr mavjud
1 h nmr
13 c nmr
Hetero NMR
Xususiyatlar mavjud
Biologik
Kimyoviy
Litski
Tuzilishi bilan bog'liq
Mulk | Qiymati | Shart | Manba |
Bioconterstratsion omil | 2680 yilda | PH 1; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 71500 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 7.21 x 105 | 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 | 8.48 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.39 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 40300 | 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 | 1360 yilda | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 36300 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 3.66 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.13 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Koc | 1.42 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.42 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.17 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 4.30 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 70800 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 20500 yil | PH 10; Temp: 25 ° C | (1) ACD |
logd | 5.77 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7.20 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 8.20 | pH 3; Temp: 25 ° C | (1) ACD |
logd | 8.69 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 8.79 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 8.79 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 8.71 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 8.27 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.49 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6,95 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Ommaviy eriylik | 5.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0.051 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.9 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.9 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 6.0 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 4.8 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 4.8 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 5.8 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.6 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 9.3 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 5.7 x 10-5 g / l | Nisbator bo'lmagan suv pH 6.97; Temp: 25 ° C | (1) ACD |
Molyar ichidagi eriylik | 5.8 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Molyar eriylik | 5.5 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 2.0 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Molyar eriylik | 2.0 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.4 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 5.1 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 5.1 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.2 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.7 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 1.0 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.9 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.1 x 10-8 mol / l | Nisbator bo'lmagan suv pH 6.97; Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 932.01 | ||
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 | 22 | (1) ACD | |
H maqolalari | 16 | (1) ACD | |
H donorlar | 1 | (1) ACD | |
H donor / qabul summasi | 17 | (1) ACD | |
logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 932.01 |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Mulk | Qiymati | Shart manbai |
Polar sirt maydoni | 187 A2 | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Spektr mavjud
1 h nmr
13 c nmr
Xavfli bayonot manbai | |
H302 yutilsa, zararli | Evropa kimyo agentligi (EPA) tasniflash va etiketlash Inventarizatsiya - Xabarilgan tasniflash va yorliq - eng keng tarqalgan bildirishnomalar, Evropa kimyoviy agentligi (EPA) Kasbiy va etiketlash inventarizatsiyasi - Xabarnomalar tasniflash va yorliqlash - eng jiddiy bildirishnomalar |