C45H56N7O9P Guanosina, 5 '-O- [BIS (4-metoxyphenyl) fenilmetilia] -2' -o-metil - n- (2-methyl-1-oxopropil) - 3 '- [2-Cianoethyl n, N-BIS (metilethil) fosforamidita] (ACI)
CAS Erregistroaren zenbakia
150780-67-9
H303
Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
Pisu molekularra | 869,94 | - |
pka (aurreikusita) | 9.16 ± 0,20 | Gai azido gehienak: 25 ° C |
N # CCCOP (OC1C (OC (= O) N = c (= o) n = c (= o) c) c) c) coc (c = 4c = cc) c = c5) c6 = c c6) n (c (c) c) c (c) c
Irribarre isomerikoak
C (oc [c @@ h] 1 [c @@ h] c (c) c) occc # n) [c) c) [c) c) [c) c) [c (c) n] [c) n] (o1) [n] (c)> c (c (c (c) C = C4) (C5 = CC = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c45h56n7o9p / c1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9) 38 (61-62 (59-25-13-24-
46) 56) 52 (29 (3) 4) 36 (5) 6) 26-58-45 (60-43) 26-53-10-31-31-31-31-32-32 (55-7) 21-17-22-35 (56-8) 23-19-33 / H10-12,14-23,27 -30,36,38-39,43: 13,25-26H2,1-9h3, (h2,48,49,50,53,544) / T36-, 38-, 39-, 43-, 62? / M1 / S1
Inchi gakoa
Irrrdhrzuoznwdj-mlldkzsosa-n
1 Substantzia honetarako beste izen bat
Guanosine, 5 '-O- [bis (4-metoxyphenyl) fenilmetil] -2 '-O-metiloa-N- (2-metil-1-oxopropil) -, 3 '- [2-2-Cianoethil bis (metiletilia) fosforamidita] (9ci)
Espektroak eskuragarri
13 c nmr
Hetero nmr
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Lipinski
Egitura erlazionatua
Jabetasun | Balio | Baldintza | Iturri |
Bioconcentration faktorea | 183 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 3890 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 35500 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1.08 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,36 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,39 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,38 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,24 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 63600 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 11900 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Jabetasun | Balio | Baldintza | Iturri |
Koc | 220 | pH 1; Temp: 25 ° C | (1) ACD |
Koc | 4680 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 42600 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.30 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 1,63 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1,67 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1,65 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 1.49 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Koc | 76400 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 14200 | pH 10; Temp: 25 ° C | (1) ACD |
sintika | 4.19 | pH 1; Temp: 25 ° C | (1) ACD |
sintika | 5,52 | PH 2; Temp: 25 ° C | (1) ACD |
sintika | 6,48 | pH 3; Temp: 25 ° C | (1) ACD |
sintika | 6,96 | PH 4; Temp: 25 ° C | (1) ACD |
sintika | 7.06 | PH 5; Temp: 25 ° C | (1) ACD |
sintika | 7,07 | PH 6; Temp: 25 ° C | (1) ACD |
sintika | 7,07 | PH 7; Temp: 25 ° C | (1) ACD |
sintika | 7,02 | PH 8; Temp: 25 ° C | (1) ACD |
sintika | 6,93 | PH 9; Temp: 25 ° C | (1) ACD |
sintika | 6.00 | pH 10; Temp: 25 ° C | (1) ACD |
logpp | 7.072 ± 0,721 | Temp: 25 ° C | (1) ACD |
Intrinsic disolbagarritasuna | 1.2 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 0,096 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 4.3 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 4,8 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1,6 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.2 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.2 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.2 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.4 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2,7 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.4 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.2 x 10-4 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Molar berezko disolbagarritasuna | 1,4 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1.1 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5.0 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5,5 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,8 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,4 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,4 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Disolbagarritasun molarra | 1,4 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,6 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3.1 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,6 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,4 x 10-7 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Pisu molekularra | 869,94 | ||
pka | 9.16 ± 0,20 | Gai azido gehienak: 25 ° C | (1) ACD |
pka | 3.45 ± 0,70 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Jabetasun | Balio | Baldintza | Iturri |
Lotura libreki birakariak | 19 | (1) ACD | |
H Onartzaileak | 16 | (1) ACD | |
H Emaileak | 2 | (1) ACD | |
H emaile / onartzaileen batura | 18 | (1) ACD | |
logpp | 7.072 ± 0,721 | Temp: 25 ° C | (1) ACD |
Pisu molekularra | 869,94 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Jabetasun | Balio | Egoeraren iturria |
Azalera polarra | 194 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1 h nmr
13 c nmr
Klabe | Arriskuen adierazpena | Iturri |
H303 | Irentsi izanez gero kaltegarria izan daiteke | Komisarioa aditua |