C44H49N5O7SI adenosina, n-benzoyl-5'-o- [bis (4-metoxyphenyl) fenilmetilia] -2'- o - [(1,1 dimethyletil) dimethylsilyl] - (9ci, aci)
Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
Pisu molekularra | 787,98 | - |
Dentsitatea (aurreikusitakoa) | 1.23 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr |
pka (aurreikusita) | 7,87 ± 0,43 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
O = c (nc1 = nc = nc2 = c1n = cn2c3oc (coc (c = cc = cc) c6 = c5) c6 = cc) c = c c6) c (o) c3o [si] (c) (c) (c) c) c = 7C = CC = C)
Irribarre isomerikoak
C (oc [c @ h] 1o [[c @ h] ([c @ h] (o [si] (o [c) (c) (c) c) [c) c) [c) c) [c) c) [c) c) [c) c)) n2c = 3C (n = c2) = c (n C (= o) c4 = cc = cc = cc) n = cn3) (c5 = cc) c = c5) (c6 = cc = c (cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
INCHI = 1S / C44H49N5O7SI / C1-43 (2,3) 57 (6,7) 56-38-37 (50) 56-38-37 (55-42 (38) 49-28-47-36-39 (45-27-46-40 (36) 49) 48-41 (51) 29-14-10-8-11-10-2-2 9) 26-54-44 (30-16-13-13-18-30-31-18-31 (52-4) 23-19-31) 32-20-24-34 (53-5) 25-21-32 / h8-25,27-28,35,37-38,42,3,1-7h3, (h,
45,46,48,51) / t35-, 37-, 38-, 42- / m1 / s1
Inchi gakoa
Dazigopasnjpcj-gnecsjiwsa-n
2 substantzia honetarako beste izen batzuk
N-benzoyl-5'-o- [bis (4-metoxyphenyl) fenilmetilia] -2'-o - [(1,1-dimethyletil) dimetilsilyl] adenosina (aci); N6-benzoyl-5'-o- (4,4'- dimetoxytrityl) -2'-o- (tert-butyldimethylysilyl) adenosina
Espektroak eskuragarri
1h nmr
Hetero nmr
Ezaugarriak eskuragarri |
Biologiko |
Gai kimiko |
Dentsitate |
Lipinski |
Egitura erlazionatua |
Biologiko
Jabetasun | Balio | Baldintza | Iturri |
Bioconcentration faktorea | 1,00 x 106 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,00 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 5,41 x 105 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Gai kimiko
Jabetasun | Balio | Baldintza | Iturri |
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 |
Jabetasun | Balio | Baldintza | Iturri |
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 |
sintika | 9,62 | pH 1; Temp: 25 ° C | (1) ACD |
sintika | 10,15 | PH 2; Temp: 25 ° C | (1) ACD |
sintika | 10,27 | pH 3; Temp: 25 ° C | (1) ACD |
sintika | 10,29 | PH 4; Temp: 25 ° C | (1) ACD |
sintika | 10,29 | PH 5; Temp: 25 ° C | (1) ACD |
sintika | 10,28 | PH 6; Temp: 25 ° C | (1) ACD |
sintika | 10,19 | PH 7; Temp: 25 ° C | (1) ACD |
sintika | 9,75 | PH 8; Temp: 25 ° C | (1) ACD |
sintika | 8,97 | PH 9; Temp: 25 ° C | (1) ACD |
sintika | 8,43 | pH 10; Temp: 25 ° C | (1) ACD |
logpp | 10.291 ± 0,708 | Temp: 25 ° C | (1) ACD |
Intrinsic disolbagarritasuna | 1.1 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 4,8 x 10-6 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1,4 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.1 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.0 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.0 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.0 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1,3 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3,5 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 7,6 x 10-5 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1,3 x 10-6 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Molar berezko disolbagarritasuna | 1,4 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 6,1 x 10-9 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,8 x 10-9 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,4 x 10-9 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,3 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,3 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Disolbagarritasun molarra | 1,3 x 10-9 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,6 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,5 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 2,8 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 9,6 x 10-8 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,6 x 10-9 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Pisu molekularra | 787,98 | ||
pka | 7,87 ± 0,43 | Gai azido gehienak: 25 ° C | (1) ACD |
pka | 1,39 ± 0,10 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Dentsitate
Jabetasun | Balio | Baldintza | Iturri |
Dentsitate | 1.23 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
Bolumen molarra | 639,5 ± 7,0 cm3 / mol | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Lipinski
Jabetasun | Balio | Baldintza | Iturri |
Lotura libreki birakariak | 14 | (1) ACD | |
H Onartzaileak | 12 | (1) ACD | |
H Emaileak | 2 | (1) ACD | |
H emaile / onartzaileen batura | 14 | (1) ACD | |
logpp | 10.291 ± 0,708 | Temp: 25 ° C | (1) ACD |
Pisu molekularra | 787,98 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Egitura erlazionatua
Jabetasun | Balio | Baldintza | Iturri |
Azalera polarra | 139 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1h nmr
13C NMR