![118 Re36H44N2O8Si Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 Re36H44N2O8Si Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI) Udvalgt billede](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 Re36H44N2O8Si Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)
| Vigtige fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 660,83 | - |
| Tæthed (forudsagt) | 1,24±0,1 g/cm3 | Temp: 20°C; Tryk: 760 Torr |
| pKa (forudsagt) | 9,39±0,10 | Mest sure temperatur: 25 °C |
Kanoniske SMIL 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
Isomere SMIL
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
InChI nøgle
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Andre navne for dette stof
5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]uridin (ACI); 2'-O-tert-Butyldimethylsilyl-5'-O-(4,4'-dimethoxytrityl)uridin
Spectra tilgængelige
1H NMR
13C NMR
Hetero NMR
Masse
| Egenskaber til rådighed |
| Biologisk |
| Kemisk |
| Tæthed |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2,20 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2,12 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1,54 x 105 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 42500 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemisk
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 2,33 x 105 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 2,32 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 2,23 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 1,62 x 105 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 44800 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 7,33 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 7,33 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 7,33 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 7,33 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 7,33 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 7,33 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 7,33 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 7,32 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 7.18 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 6,62 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 7,334±0,643 | Temperatur: 25 °C | (1) ACD |
| Masse iboende opløselighed | 3,5 x 10-5 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,6 x 10-5 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,0 x 10-5 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,9 x 10-4 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,5 x 10-5 g/L | Upufret vand pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molær indre opløselighed | 5,3 x 10-8 mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 5,3 x 10-8 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,5 x 10-8 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 7,6 x 10-8 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,8 x 10-7 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,3 x 10-8 mol/L | Upufret vand pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 660,83 | ||
| pKa | 9,39±0,10 | Mest sure temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tæthed
| Ejendom | Værdi | Tilstand | Kilde |
| Tæthed | 1,24±0,1 g/cm3 | Temp: 20°C; Tryk: 760 Torr | (1) ACD |
| Molar volumen | 528,8±5,0 cm3/mol | Temp: 20°C; Tryk: 760 Torr | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 13 | (1) ACD | |
| H Acceptorer | 10 | (1) ACD | |
| H Donorer | 2 | (1) ACD | |
| H Donor/Acceptorsum | 12 | (1) ACD | |
| logP | 7,334±0,643 | Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 660,83 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polar overfladeareal | 116 A2 | (1) ACD | |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra tilgængelige
1H NMR
13C NMR
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