C44H53FN7O8 Guanosina, 5 '-O- [BIS (4-metoxyphenyl) fenilmetilia] -2' -deoxy-2 '- fluoro-n- (2-methyl-1-oxopropil) -, [2-Cianoetil n, N-BIS (metil etilia) fosforamidita] (ACI)
CAS Erregistroaren zenbakia
144089-97-4
Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
Pisu molekularra | 857,91 | - |
pka (aurreikusita) | 9.16 ± 0,20 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
N # CCCOP (OC1C (F) C (CC = CC) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = CC) n5c = nc = 6c (= o) c (c) nc65) n (c (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) [c) n) [c) n) [c) n) [c) n) [c) n] (c) c) = C4) (C5 = CC = C (OC) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c44h53fn7o8p / c1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 (60-61 (58-24-12-23-46) 52 (58 (3)) 29 (5) 6) 35 (59-42) 25-57-44 (30-10-30-30-30-30-30-15-19-33 (55-7) 20-16-31) 32-17-21-34 (56-8) 22-18-32 / h9-11,13-22,26-29,35-36,38-29,35-36,38,42h, 12, 12, 24-25h2,1-8h3, (h2,48,49,50,53,54) / t35-, 36-, 38-, 42-, 61 / m1 / s1
Inchi gakoa
Kjfumxzzvymqeu-aocjbpqjsa-n
1 Substantzia honetarako beste izen bat
Guanosine, 5 '-O- [BIS (4-metoxyphenyl) fenilmetilia] -2 '-deoxy-2' -fluoro-N- (2-metil-1-oxopropil) -, 3 '- [2-2-Cianoethil bis (1-metil etil) fosforamidita] (9ci)
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Lipinski
Egitura erlazionatua
Jabetasun | Balio | Baldintza | Iturri |
Bioconcentration faktorea | 298 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 6350 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 57800 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,76 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2.21 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2.26 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2.24 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2.03 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1.04 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 19300 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Jabetza Balioaren egoera Iturria |
Koc 312 pH 1; Temp: 25 ° C (1) ACD |
Koc 6630 pH 2; Temp: 25 ° C (1) ACD |
Koc 60400 pH 3; Temp: 25 ° C (1) ACD |
Koc 1,84 x 105 pH 4; Temp: 25 ° C (1) ACD |
Koc 2.31 x 105 pH 5; Temp: 25 ° C (1) ACD |
KOC 2.37 x 105 pH 6; Temp: 25 ° C (1) ACD |
KOC 2.35 x 105 pH 7; Temp: 25 ° C (1) ACD |
Koc 2.12 x 105 pH 8; Temp: 25 ° C (1) ACD |
Koc 1.08 x 105 pH 9; Temp: 25 ° C (1) ACD |
Koc 20200 pH 10; Temp: 25 ° C (1) ACD |
4.47. dokria 1; Temp: 25 ° C (1) ACD |
5.80 doktorea 2; Temp: 25 ° C (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
sintika | 6,96 | pH 3; Temp: 25 ° C | (1) ACD |
sintika | 7,24 | PH 4; Temp: 25 ° C | (1) ACD |
sintika | 7,34 | PH 5; Temp: 25 ° C | (1) ACD |
sintika | 7,35 | PH 6; Temp: 25 ° C | (1) ACD |
sintika | 7,35 | PH 7; Temp: 25 ° C | (1) ACD |
sintika | 7.30 | PH 8; Temp: 25 ° C | (1) ACD |
sintika | 7.01 | PH 9; Temp: 25 ° C | (1) ACD |
sintika | 6,28 | pH 10; Temp: 25 ° C | (1) ACD |
logpp | 7.351 ± 0,713 | Temp: 25 ° C | (1) ACD |
Intrinsic disolbagarritasuna | 3.0 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 0,022 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.0 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.2 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3,9 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.1 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.0 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.0 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.3 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 6,5 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3,5 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.0 x 10-5 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Molar berezko disolbagarritasuna | 3,5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 2,6 x 10-5 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,2 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,4 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,5 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,6 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,5 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,5 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,9 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 7,6 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4.1 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Disolbagarritasun molarra | 3,5 x 10-8 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Pisu molekularra | 857,91 | ||
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 | Egoeraren iturria |
Azalera polarra | 184 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Jabetasun | Balio | Baldintza | Iturri |
Lotura libreki birakariak | 18 | (1) ACD | |
H Onartzaileak | 15 | (1) ACD | |
H Emaileak | 2 | (1) ACD | |
H emaile / onartzaileen batura | 17 | (1) ACD | |
logpp | 7.351 ± 0,713 | Temp: 25 ° C | (1) ACD |
Pisu molekularra | 857,91 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)