C31H32N2O8 Uridina, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metil- (9C I, ACI)
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 560.60 | - |
| Kepadatan (Diprediksi) | 1,35±0,1 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr |
| pKa (Diprediksi) | 9,39±0,10 | Suhu Paling Asam: 25 °C |
SENYUM Kanonik 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)C2OC
SENYUM Isomerik C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Di Cina
InChI=1S/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/jam4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27-,28-,29-/m1/dtk1
Kunci InChI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Nama Lain untuk Zat Ini
5′-O-[Bis(4-metoksifenil)fenilmetil]-2′-O-metiluridina (ACI); 5′-O-(4,4′-Dimetoksitritil)-2′-O-metiluridina
Spektrum tersedia
1H NMR
Massa
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Struktur Terkait |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | tahun 1240 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | tahun 1240 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | tahun 1240 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | tahun 1240 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | tahun 1240 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | tahun 1240 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | tahun 1230 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | tahun 1190 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 861 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 238 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| Koc | 5690 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 5690 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 5670 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 5450 | pH 8; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Koc | 3960 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | tahun 1100 | pH 10; Suhu: 25 °C | (1) ACD |
| catatan D | 4.37 | pH 1; Suhu: 25 °C | (1) ACD |
| catatan D | 4.37 | pH 2; Suhu: 25 °C | (1) ACD |
| catatan D | 4.37 | pH 3; Suhu: 25 °C | (1) ACD |
| catatan D | 4.37 | pH 4; Suhu: 25 °C | (1) ACD |
| catatan D | 4.37 | pH 5; Suhu: 25 °C | (1) ACD |
| catatan D | 4.37 | pH 6; Suhu: 25 °C | (1) ACD |
| catatan D | 4.37 | pH 7; Suhu: 25 °C | (1) ACD |
| catatan D | 4.35 | pH 8; Suhu: 25 °C | (1) ACD |
| catatan D | 4.21 | pH 9; Suhu: 25 °C | (1) ACD |
| catatan D | 3.66 | pH 10; Suhu: 25 °C | (1) ACD |
| catatan P | 4.372±0.582 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 3,7 x 10-4 gram/liter | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,7 x 10-4 gram/liter | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,7 x 10-4 gram/liter | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,7 x 10-4 gram/liter | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,7 x 10-4 gram/liter | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,7 x 10-4 gram/liter | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,7 x 10-4 gram/liter | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,7 x 10-4 gram/liter | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,8 x 10-4 gram/liter | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 5,3 x 10-4 gram/liter | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,9 x 10-3 gram/liter | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,7 x 10-4 gram/liter | Air Tanpa Penyangga pH 6,99; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 6,6 x 10-7 mol/liter | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,6 x 10-7 mol/liter | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,6 x 10-7 mol/liter | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,6 x 10-7 mol/liter | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,6 x 10-7 mol/liter | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,6 x 10-7 mol/liter | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,6 x 10-7 mol/liter | pH 6; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 6,6 x 10-7 mol/liter | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,8 x 10-7 mol/liter | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 9,4 x 10-7 mol/liter | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,4 x 10-6 mol/liter | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,6 x 10-7 mol/liter | Air Tanpa Penyangga pH 6,99; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 560.60 | ||
| pKa | 9,39±0,10 | Suhu Paling Asam: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,35±0,1 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
| Volume Molar | 412,9±5,0 cm3/mol | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 11 | (1) ACD | |
| Akseptor H | 10 | (1) ACD | |
| Donor H | 2 | (1) ACD | |
| H Jumlah Donor/Akseptor | 12 | (1) ACD | |
| catatan P | 4.372±0.582 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 560.60 |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Terkait
| Milik | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 116 Halaman A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
NMR 13C
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