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![C30h29fn2o7 uridine, 5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-deoxy-2'- Fluoro- (9ci, aci) featured image](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30h29fn2o7 uridine, 5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-deoxy-2'-deoxy-2'-deoxy-2'- Fluoro- (9ci, aci)
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 548.56 | - |
| Melting Point (eksperiminteel) | 118-120 ° C | - |
| Tichtheid (foarsizze) | 1,38 ± 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 = c = c = c (cc = c (c5) c = c5) c (o) c2f
Isomeryske glimket c (OC [c @ h] 1O [C @ h] (f) [c @@] 1o) n2c (= c2) (c4 = c (c4) c = c = c = c = c = cv = cc = c5
Inchi
Inchi = 1s / c30h29fn2o7 / c1-37-22-12-8-20 (9-13-22 (9-6-4-3-5-7-19.21-14-23 (38-24-27 (38-24-27 (35-24-27 (35-24-27 (35-24-27 (35) 26 (31) 28 (40-24) 33
-17-16-25 (32-29 (32) 32-29 (33) 33 / H3-17,24,26-28,35h, 18h2,1-2H3, (H, 32,34,36) / T24-, 26-, 26-, 26-, 27-, 28- / M1 / S1
Inchi-kaai
Cssfzsszxoccjb-yuloidqlsa-n
1 oare namme foar dizze substansje
5'-o- [bis (4-methovyPhenyl) fenylmethyl] -2'-deoxy-2'-Fluorouridine (ACI)
Eigenskippen beskikber
Thermal
Thermal
| Besit | Wearde | Betingst | Boarne |
| Melting Point | 118-120 ° C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Aciden, (2018), 37 (4), 232-247, Caplus
Spectra te krijen
1h nmr
13C NMR
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 3580 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3580 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3580 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3580 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3580 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3580 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3570 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3430 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2500 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 689 | 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 | 12200 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 12100 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 11700 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 8480 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 2340 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | 4.98 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 4.98 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | 4.98 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 4.98 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 4.98 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 4.98 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 4.98 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 4.96 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 4.82 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 4.26 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 4.979 ± 0.563 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 9,9 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,0 x 10-4 G / L | pH 10; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 9,9 x 10-5 g / l | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1,8 x 10-7 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,5 x 10-7 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 9.2 X 10-7 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-7 Mol / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 548.56 | ||
| 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 | 1,38 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 395,8 ± 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 | 10 | (1) ACD | |
| H akseptearders | 9 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / akseptearje SUM | 11 | (1) ACD | |
| Logp | 4.979 ± 0.563 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 548.56 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 107 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
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