C44h53fn7o8 guanosine, 5 '- [methoksyphenyl) fenylmethyl] -2'-metyl-1-1-1-1-1-1-metyl) fosphoramidite] (aci)
CAS Registry Number
144089-97-4
Kaai fysike eigenskippen | Wearde | Betingst |
Molekulêr gewicht | 857.91 | - |
PKA (foarsizze) | 9,16 ± 0.20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # CCCOP (OC1C (F) C (OC1COC (c = 2c = cc = c (cv = c = c = c = 6c = 6 c) c = c (c (c) c) c (c (c) c) c (c (c) c) c (c (c) c) c (c) c) c = c (c) c =
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@) (op (n (c (c) c) occ) [c @@) (o) [n = c) c) = o) n3) (c4 = cc = c (oc) c = C4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c44h53fn7o8p / c1-27 (2) 40 (53) 49-33 (41 (54-51 (45) 48 (60-61 (58-24-12-24-46) 52 (28 (28 (3) 4) 29) 29) 29) 29) 29) 29) 29) 29 (28) 6) 35 (59-42) 25-57-44 (30-13-10-9-14-14.31-15-19-33 (55-31) 32-17-21-34 (56-8-231 (56-8 / H9-11,13-22.26-29,4,13-26,26-29,41-36,38,42h, 12, 24-25H2,1-8H3, (H2.48.49,50,53,54) / T35-, 36-, 38-, 42-, 61? / M1 / S1
Inchi-kaai
Kjfumxzzvymqeu-aocjbpqjsa-n
1 oare namme foar dizze substansje
Guanosine, 5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-dexy-2' -fluoro-N- (2-methyl-1-oxopropyl) -, 3 '- [2-Cyanoethyl bis (1-metyl ethyl) fosphoramidite] (9ci)
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
Besit | Wearde | Betingst | Boarne |
Bioconcentration Factor | 298 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 6350 | pH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 57800 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.76 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.26 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.24 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.03 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.04 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 19300 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Eigendomwearde Boarne |
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 |
Logd 4.47 PH 1; Temp: 25 ° C (1) ACD |
Logd 5,80 PH 2; Temp: 25 ° C (1) ACD |
Besit | Wearde | Betingst | Boarne |
Logd | 6.76 | pH 3; Temp: 25 ° C | (1) ACD |
Logd | 7.24 | pH 4; Temp: 25 ° C | (1) ACD |
Logd | 7.34 | pH 5; Temp: 25 ° C | (1) ACD |
Logd | 7.35 | pH 6; Temp: 25 ° C | (1) ACD |
Logd | 7.35 | pH 7; Temp: 25 ° C | (1) ACD |
Logd | 7.30 | pH 8; Temp: 25 ° C | (1) ACD |
Logd | 7.01 | pH 9; Temp: 25 ° C | (1) ACD |
Logd | 6.28 | pH 10; Temp: 25 ° C | (1) ACD |
Logp | 7.351 ± 0.713 | Temp: 25 ° C | (1) ACD |
Massa intrinsike oplosmiddel | 3.0 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 0,022 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 1.0 x 10-3 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 1.2 X 10-4 G / L | pH 3; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,9 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3.1 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3.0 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3.0 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3.3 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 6.5 x 10-5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,5 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3.0 x 10-5 g / l | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
Molêre yntrinsike oplosmiddel | 3,5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 2.6 x 10-5 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 1.2 X 10-6 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 1,4 x 10-7 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 4,5 x 10-8 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3.6 x 10-8 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3,5 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3,5 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3,9 x 10-8 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 7,6 x 10-8 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 4.1 x 10-7 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Milarlabiliteit | 3,5 x 10-8 mol / l | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 857.91 | ||
pka | 9,16 ± 0.20 | Meast Acidic Temp: 25 ° C | (1) ACD |
pka | 3.45 ± 0,70 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst boarne |
Polar oerflak | 184 a2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst | Boarne |
Frij rotatbere bonnen | 18 | (1) ACD | |
H akseptearders | 15 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Donor / akseptearje SUM | 17 | (1) ACD | |
Logp | 7.351 ± 0.713 | Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 857.91 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)