![C30H29FN2O7 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, aci)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, aci)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 548.56 | - |
| Titik lebur (eksperimen) | 118-120 ° C. | - |
| Ketumpatan (diramalkan) | 1.38 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 9.39 ± 0.10 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1C = Cn (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2F
Isomerik Smiles C (OC [C@H] 1O [C@H] ([C@H] (F) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3)
Inchi
Inchi = 1S/C30H29FN2O7/C1-37-22-12-8-20-20 (9-13-22) 30 (19-6-4-3-5-7-19-10-14-23 (38-2) 15-11-21)
-17-16-25 (34) 32-29 (33) 36/H3-17,24,26-28,35H, 18H2,1-2H3, (H, 32,34,36)/T24-, 26-, 27-, 28-/m1/s1
Kunci Inchi
Cssfzsszxoccjb-yuloidqlsa-n
1 nama lain untuk bahan ini
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluorouridine (ACI)
Hartanah tersedia
Haba
Haba
| Harta | Nilai | Keadaan | Sumber |
| Titik lebur | 118-120 ° C. | (1) Cas | |
(1) Penjarla, Srishylam; Nukleosida, nukleotida & asid nukleik, (2018), 37 (4), 232-247, Caplus
Spektrum tersedia
1H NMR
13C NMR
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 3580 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3580 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3570 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3430 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2500 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 689 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Keadaan | Sumber |
| 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 |
| Kelarutan intrinsik massa | 9.9 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 9.9 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 9.9 x 10-5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 9.9 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 9.9 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 9.9 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 9.9 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 9.9 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 9.9 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.0 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan Massa | 9.9 x 10-5 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.8 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.5 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 9.2 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 548.56 | ||
| PKA | 9.39 ± 0.10 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.38 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 395.8 ± 5.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 10 | (1) ACD | |
| H penerima | 9 | (1) ACD | |
| H penderma | 2 | (1) ACD | |
| H penderma/penerima jumlah | 11 | (1) ACD | |
| logp | 4.979 ± 0.563 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 548.56 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 107 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
![C41H41N5O8 Adenosine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'- O- (2-methoxyethyl)-(9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C31H32N2O8 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- (9c I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
![C50H60N5O10P cytidine, N-benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methoxyethyl)-5-methyl-, 3 '-[2-cyanoethyl N,](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C30H30N2O8 Uridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl]-(9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)