118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 660.83 | - |
Msongamano (Uliotabiriwa) | 1.24±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr |
pKa (Iliyotabiriwa) | 9.39±0.10 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kisheria 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
Isomeric TABASAMU
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
InChI
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
Ufunguo wa InChI
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Majina Mengine ya Dawa hii
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytrityl)uridine
Spectra inapatikana
1H NMR
13C NMR
Hetero NMR
Misa
Mali zinazopatikana |
Kibiolojia |
Kemikali |
Msongamano |
Lipinski |
Kuhusiana na Muundo |
Kibiolojia
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 2.21 x 105 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2.21 x 105 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2.21 x 105 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2.21 x 105 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2.21 x 105 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2.21 x 105 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2.20 x 105 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2.12 x 105 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.54 x 105 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 42500 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kemikali
Mali | Thamani | Hali | Chanzo |
Koc | 2.33 x 105 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 3; Joto: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 5; Joto: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 6; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Koc | 2.32 x 105 | pH 7; Joto: 25 °C | (1) ACD |
Koc | 2.23 x 105 | pH 8; Joto: 25 °C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 44800 | pH 10; Joto: 25 °C | (1) ACD |
logD | 7.33 | pH 1; Joto: 25 °C | (1) ACD |
logD | 7.33 | pH 2; Joto: 25 °C | (1) ACD |
logD | 7.33 | pH 3; Joto: 25 °C | (1) ACD |
logD | 7.33 | pH 4; Joto: 25 °C | (1) ACD |
logD | 7.33 | pH 5; Joto: 25 °C | (1) ACD |
logD | 7.33 | pH 6; Joto: 25 °C | (1) ACD |
logD | 7.33 | pH 7; Joto: 25 °C | (1) ACD |
logD | 7.32 | pH 8; Joto: 25 °C | (1) ACD |
logD | 7.18 | pH 9; Joto: 25 °C | (1) ACD |
logD | 6.62 | pH 10; Joto: 25 °C | (1) ACD |
logP | 7.334±0.643 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 3.5 x 10-5 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.5 x 10-5 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.5 x 10-5 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.5 x 10-5 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.5 x 10-5 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.5 x 10-5 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.5 x 10-5 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.5 x 10-5 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.6 x 10-5 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.0 x 10-5 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.9 x 10-4 g/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.5 x 10-5 g/L | Maji yasiyo na buffered pH 7.00; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 5.3 x 10-8 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.3 x 10-8 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.3 x 10-8 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.3 x 10-8 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.3 x 10-8 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa Molar | 5.3 x 10-8 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.3 x 10-8 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.3 x 10-8 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.5 x 10-8 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 7.6 x 10-8 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 2.8 x 10-7 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.3 x 10-8 mol/L | Maji yasiyo na buffered pH 7.00; Joto: 25 °C | (1) ACD |
Uzito wa Masi | 660.83 | ||
pKa | 9.39±0.10 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Msongamano
Mali | Thamani | Hali | Chanzo |
Msongamano | 1.24±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha Molar | 528.8±5.0 cm3/mol | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 13 | (1) ACD | |
H Wakubali | 10 | (1) ACD | |
H Wafadhili | 2 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 12 | (1) ACD | |
logP | 7.334±0.643 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 660.83 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kuhusiana na Muundo
Mali | Thamani | Hali | Chanzo |
Eneo la Uso wa Polar | 116 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1H NMR
13C NMR