C31H32N2O8 Uridin, 5'-O-[bis(4-methoxyphenyl)fenilmetil]-2'-O-methyl- (9C I, ACI)
Sifat Fizikal Utama | Nilai | keadaan |
Berat Molekul | 560.60 | - |
Ketumpatan (Diramalkan) | 1.35±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
pKa (Diramalkan) | 9.39±0.10 | Suhu Paling Berasid: 25 °C |
SENYUMAN 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)C2OC
SENYUMAN 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
InChI
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/j4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27 -,28-,29-/m1/s1
Kunci InChI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Nama Lain untuk Bahan ini
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyluridine (ACI); 5'-O-(4,4'-Dimethoxytrityl)-2'-O-methyluridine
Spectra tersedia
1H NMR
Mass
Hartanah tersedia |
Biologi |
kimia |
Ketumpatan |
Lipinski |
Berkaitan Struktur |
Biologi
Harta benda | Nilai | keadaan | Sumber |
Faktor Biopekatan | 1240 | pH 1; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 1240 | pH 2; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 1240 | pH 3; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 1240 | pH 4; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 1240 | pH 5; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 1240 | pH 6; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 1230 | pH 7; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 1190 | pH 8; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 861 | pH 9; Suhu: 25 °C | (1) ACD |
Faktor Biopekatan | 238 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
kimia
Harta benda | Nilai | keadaan | 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 |
Harta benda | Nilai | keadaan | Sumber |
Koc | 3960 | pH 9; Suhu: 25 °C | (1) ACD |
Koc | 1100 | pH 10; Suhu: 25 °C | (1) ACD |
logD | 4.37 | pH 1; Suhu: 25 °C | (1) ACD |
logD | 4.37 | pH 2; Suhu: 25 °C | (1) ACD |
logD | 4.37 | pH 3; Suhu: 25 °C | (1) ACD |
logD | 4.37 | pH 4; Suhu: 25 °C | (1) ACD |
logD | 4.37 | pH 5; Suhu: 25 °C | (1) ACD |
logD | 4.37 | pH 6; Suhu: 25 °C | (1) ACD |
logD | 4.37 | pH 7; Suhu: 25 °C | (1) ACD |
logD | 4.35 | pH 8; Suhu: 25 °C | (1) ACD |
logD | 4.21 | pH 9; Suhu: 25 °C | (1) ACD |
logD | 3.66 | pH 10; Suhu: 25 °C | (1) ACD |
logP | 4.372±0.582 | Suhu: 25 °C | (1) ACD |
Keterlarutan Intrinsik Jisim | 3.7 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.7 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.7 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.7 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.7 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.7 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.7 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.7 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.8 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 5.3 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 1.9 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
Keterlarutan Jisim | 3.7 x 10-4 g/L | Air Tidak Tertimbal pH 6.99; Suhu: 25 °C | (1) ACD |
Keterlarutan Intrinsik Molar | 6.6 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
Harta benda | Nilai | keadaan | Sumber |
Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.8 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 9.4 x 10-7 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 3.4 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
Keterlarutan Molar | 6.6 x 10-7 mol/L | Air Tidak Tertimbal pH 6.99; Suhu: 25 °C | (1) ACD |
Berat Molekul | 560.60 | ||
pKa | 9.39±0.10 | Suhu Paling Berasid: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
Harta benda | Nilai | keadaan | Sumber |
Ketumpatan | 1.35±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
Isipadu Molar | 412.9±5.0 cm3/mol | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Harta benda | Nilai | keadaan | Sumber |
Bon Boleh Putar Bebas | 11 | (1) ACD | |
H Penerima | 10 | (1) ACD | |
H Penderma | 2 | (1) ACD | |
H Jumlah Penderma/Penerima | 12 | (1) ACD | |
logP | 4.372±0.582 | Suhu: 25 °C | (1) ACD |
Berat Molekul | 560.60 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Berkaitan Struktur
Harta benda | Nilai | keadaan | Sumber |
Kawasan Permukaan Kutub | 116 A2 | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1H NMR
13C NMR