118 Re36H44N2O8Si Uridina, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-[(1,1- dimetiletil)dimetilsilil]- (9CI, ACI)
Sifat Fisik Utama | Nilai | Kondisi |
Berat Molekul | 660.83 | - |
Kepadatan (Diprediksi) | 1,24±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)C2O[Si](C)(C)C(C)(C)C
SENYUM ISMER
Bahasa Indonesia: C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[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
InciChi=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32) )38-22-21-30(39)37-34(38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28(43-5)20-16-26/j8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/m1/s1
Kunci InChI
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Nama Lain untuk Zat Ini
5′-O-[Bis(4-metoksifenil)fenilmetil]-2′-O-[(1,1-dimetiletil)dimetilsilil]uridina (ACI); 2′-O-tert-Butildimetilsilil-5′-O-(4,4′- dimetoksitritil)uridina
Spektrum tersedia
1H NMR
NMR 13C
NMR heterozigot
Massa
Properti tersedia |
Biologis |
Kimia |
Kepadatan |
Lipinski |
Struktur Terkait |
Biologis
Milik | Nilai | Kondisi | Sumber |
Faktor Biokonsentrasi | 2,21 x 105 cm | pH 1; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 2,21 x 105 cm | pH 2; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 2,21 x 105 cm | pH 3; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 2,21 x 105 cm | pH 4; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 2,21 x 105 cm | pH 5; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 2,21 x 105 cm | pH 6; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | Ukuran 2,20 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | Ukuran 2,12x105 | pH 8; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | Ukuran 1,54 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 42500 | 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 | Ukuran 2,33x105 | pH 1; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 2,33x105 | pH 2; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 2,33x105 | pH 3; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 2,33x105 | pH 4; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 2,33x105 | pH 5; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 2,33x105 | pH 6; Suhu: 25 °C | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
Koc | 2,32 x 105 cm | pH 7; Suhu: 25 °C | (1) ACD |
Koc | 2,23 x 105 cm | pH 8; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 1,62x105 | pH 9; Suhu: 25 °C | (1) ACD |
Koc | 44800 | pH 10; Suhu: 25 °C | (1) ACD |
catatan D | 7.33 | pH 1; Suhu: 25 °C | (1) ACD |
catatan D | 7.33 | pH 2; Suhu: 25 °C | (1) ACD |
catatan D | 7.33 | pH 3; Suhu: 25 °C | (1) ACD |
catatan D | 7.33 | pH 4; Suhu: 25 °C | (1) ACD |
catatan D | 7.33 | pH 5; Suhu: 25 °C | (1) ACD |
catatan D | 7.33 | pH 6; Suhu: 25 °C | (1) ACD |
catatan D | 7.33 | pH 7; Suhu: 25 °C | (1) ACD |
catatan D | 7.32 | pH 8; Suhu: 25 °C | (1) ACD |
catatan D | 7.18 | pH 9; Suhu: 25 °C | (1) ACD |
catatan D | 6.62 | pH 10; Suhu: 25 °C | (1) ACD |
catatan P | 7.334±0.643 | Suhu: 25 °C | (1) ACD |
Kelarutan Intrinsik Massa | 3,5 x 10-5 gram/liter | Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-5 gram/liter | pH 1; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-5 gram/liter | pH 2; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-5 gram/liter | pH 3; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-5 gram/liter | pH 4; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-5 gram/liter | pH 5; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-5 gram/liter | pH 6; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-5 gram/liter | pH 7; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,6 x 10-5 gram/liter | pH 8; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 5,0 x 10-5 gram/liter | pH 9; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 1,9 x 10-4 gram/liter | pH 10; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-5 gram/liter | Air Tanpa Penyangga pH 7,00; Suhu: 25 °C | (1) ACD |
Kelarutan Intrinsik Molar | 5,3 x 10-8 mol/liter | Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 5,3 x 10-8 mol/liter | pH 1; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 5,3 x 10-8 mol/liter | pH 2; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 5,3 x 10-8 mol/liter | pH 3; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 5,3 x 10-8 mol/liter | pH 4; Suhu: 25 °C | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
Kelarutan Molar | 5,3 x 10-8 mol/liter | pH 5; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 5,3 x 10-8 mol/liter | pH 6; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 5,3 x 10-8 mol/liter | pH 7; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 5,5 x 10-8 mol/liter | pH 8; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 7,6 x 10-8 mol/liter | pH 9; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 2,8 x 10-7 mol/liter | pH 10; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 5,3 x 10-8 mol/liter | Air Tanpa Penyangga pH 7,00; Suhu: 25 °C | (1) ACD |
Berat Molekul | 660.83 | ||
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 | 1,24±0,1 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
Volume Molar | 528,8±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 | 13 | (1) ACD | |
Akseptor H | 10 | (1) ACD | |
Donor H | 2 | (1) ACD | |
H Jumlah Donor/Akseptor | 12 | (1) ACD | |
catatan P | 7.334±0.643 | Suhu: 25 °C | (1) ACD |
Berat Molekul | 660.83 |
(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