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118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-metoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 660.83 | - |
| Kapadhetan (Prediksi) | 1,24±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 9.39±0.10 | Suhu Paling Asam: 25 °C |
SENYUMAN 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
Isomerik SMILES
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
IngChI
InChI=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/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
Kunci Inchi
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Jeneng Liyane kanggo Zat iki
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytriyl)uridine
Spectra kasedhiya
1H NMR
13C NMR
Hetero NMR
Massa
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
biologi
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 2,21 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,21 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,21 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,21 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,21 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2,21 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2.20 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2.12 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,54 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 42500 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | Sumber |
| Koc | 2,33 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Koc | 2,32 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 2,23 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 1,62 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 44800 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 7.33 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 7.32 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 7.18 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 6.62 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 7.334±0.643 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 3,5 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-5 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-5 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-5 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-5 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-5 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-5 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-5 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,6 x 10-5 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,0 x 10-5 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,9 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-5 g/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 5,3 x 10-8 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,3 x 10-8 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,3 x 10-8 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,3 x 10-8 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,3 x 10-8 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 5,3 x 10-8 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,3 x 10-8 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,3 x 10-8 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,5 x 10-8 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 7,6 x 10-8 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,8 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,3 x 10-8 mol/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 660.83 | ||
| pKa | 9.39±0.10 | Suhu Paling Asam: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,24±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 528,8±5,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 13 | (1) ACD | |
| H. Akseptor | 10 | (1) ACD | |
| H. Donor | 2 | (1) ACD | |
| H Jumlah Donor / Akseptor | 12 | (1) ACD | |
| logP | 7.334±0.643 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 660.83 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 116 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
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