C31H32N2O8 uridine, 5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-o-methyl- (9c i, aci)
Kaai fysike eigenskippen | Wearde | Betingst |
Molekulêr gewicht | 560.60 | - |
Tichtheid (foarsizze) | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
PKA (foarsizze) | 9.39 ± 0.10 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1c = cn (c (= o) n1) c2oc (cc = c (cc = c (c4) c = cv = c (cv = c (c5) c = c5) c (o) c2oc
Isomeryske glimket c (oc [c @ h] 1O [c @ h] (oc) [c @@ H] 1O) (= cc = c = c = c = c = c (c4) c = c = c = c = c = cv = cc = c5
Inchi
Inchi = 1s / c31h32n2o8 / c1-37-23-9-21 (10-14-23) 31 (10-14-250 (3-7-5-6-6-6-11-11-11-15-27 (38-22-22) 40-19-25-27 (35) 28 (39-3) 29 (41-3)
33-18-17-26 (32) 32-30 (33) 32 / H4-18,25,27-29,35, 19,35h, 19h2,1-3h3, (H, 32,34,36) / T25-, 27- / M1 / S1
Inchi-kaai
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 oare nammen foar dizze substansje
5'-o- [bis (4-methovyPhenyl) fenylmethyl] -2'-o-methyluridine (aci); 5'-o- (4,4'-dimethoxytrityl) -2'-o-methyluridine
Spectra te krijen
1h nmr
Mis
Eigenskippen beskikber |
Biologysk |
Gemysk |
Densheid |
Lipinski |
Struktuer relatearre |
Biologysk
Besit | Wearde | Betingst | Boarne |
Bioconcentration Factor | 1240 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1230 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 1190 | pH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 861 | pH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 238 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Gemysk
Besit | Wearde | Betingst | Boarne |
Koc | 5690 | pH 1; Temp: 25 ° C | (1) ACD |
Koc | 5690 | pH 2; Temp: 25 ° C | (1) ACD |
Koc | 5690 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 5690 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 5690 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 5690 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 5670 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 5450 | pH 8; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Koc | 3960 | pH 9; Temp: 25 ° C | (1) ACD |
Koc | 1100 | pH 10; Temp: 25 ° C | (1) ACD |
Logd | 4.37 | pH 1; Temp: 25 ° C | (1) ACD |
Logd | 4.37 | pH 2; Temp: 25 ° C | (1) ACD |
Logd | 4.37 | pH 3; Temp: 25 ° C | (1) ACD |
Logd | 4.37 | pH 4; Temp: 25 ° C | (1) ACD |
Logd | 4.37 | pH 5; Temp: 25 ° C | (1) ACD |
Logd | 4.37 | pH 6; Temp: 25 ° C | (1) ACD |
Logd | 4.37 | pH 7; Temp: 25 ° C | (1) ACD |
Logd | 4.35 | pH 8; Temp: 25 ° C | (1) ACD |
Logd | 4.21 | pH 9; Temp: 25 ° C | (1) ACD |
Logd | 3.66 | pH 10; Temp: 25 ° C | (1) ACD |
Logp | 4.372 ± 0.582 | Temp: 25 ° C | (1) ACD |
Massa intrinsike oplosmiddel | 3,7 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,7 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,7 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,7 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,7 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,7 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,7 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,7 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,8 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5.3 x 10-4 G / L | pH 9; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 1,9 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 3,7 x 10-4 g / l | Unbuffered water phel 6; Temp: 25 ° C | (1) ACD |
Molêre yntrinsike oplosmiddel | 6.6 X 10-7 Mol / L | Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6,8 x 10-7 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 9,4 x 10-7 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3.4 x 10-6 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 6.6 X 10-7 Mol / L | Unbuffered water phel 6; Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 560.60 | ||
pka | 9.39 ± 0.10 | Meast Acidic Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densheid
Besit | Wearde | Betingst | Boarne |
Densheid | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
Molar volume | 412,9 ± 5,0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
Besit | Wearde | Betingst | Boarne |
Frij rotatbere bonnen | 11 | (1) ACD | |
H akseptearders | 10 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Donor / akseptearje SUM | 12 | (1) ACD | |
Logp | 4.372 ± 0.582 | Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 560.60 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
Besit | Wearde | Betingst | Boarne |
Polar oerflak | 116 A2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR