![C17H19N3O6 Thymidine, α-oxo-α-[(phenylmethyl)amino]- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C17H19N3O6 Thymidine, α-oxo-α-[(phenylmethyl)amino]- (ACI)
Àireamh Clàraidh CAS
944268-75-1
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 361.35 | - |
| Dlùths (Ro-innse) | 1.459±0.06 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr |
| pKa (Ro-innse) | 8.27±0.10 | Teòthachd as searbhaiche: 25 °C |
Gàire Canònach
O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3
Gàire Isomeric
O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(C(NCC3=CC=CC=C3)=O)C(=O)N1
InChI
InChI= 1S/C17H19N3O6/c21-9-13-12(22)6-14(26-13)20-8-11(16(24)19-17(20)25)15(23)18-7-10-4-2-1-3-5-10/h1-5,8,12-14,21-22H,6-7,9 H2,(H,18,23)(H,19,24,25)/t12-,13+,14+/m0/s1
Iuchair InChI
VBRYAGCUEXFMKM-BFHYXJOUSA-N
3 Ainmean Eile airson an Stuth seo
α-Oxo-α-[(phenylmethyl)amino]thymidine (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 sreath tagraidh
Togalaichean a tha rim faighinn
Bith-eòlasach
Ceimigeach
Dlùths
Lipinski
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 1.0 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.0 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Stòr Suidheachadh Luach Seilbh |
| Koc 18.3 pH 1; Teòthachd: 25 °C (1) ACD |
| Koc 18.3 pH 2; Teòthachd: 25 °C (1) ACD |
| Koc 18.3 pH 3; Teòthachd: 25 °C (1) ACD |
| Koc 18.3 pH 4; Teòthachd: 25 °C (1) ACD |
| Koc 18.3 pH 5; Teòthachd: 25 °C (1) ACD |
| Koc 18.1 pH 6; Teòthachd: 25 °C (1) ACD |
| Koc 16.4 pH 7; Teòthachd: 25 °C (1) ACD |
| Koc 8.56 pH 8; Teòthachd: 25 °C (1) ACD |
| Koc 1.62 pH 9; Teòthachd: 25 °C (1) ACD |
| Koc 1.0 pH 10; Teòthachd: 25 °C (1) ACD |
| logD -0.21 pH 1; Teòthachd: 25 °C (1) ACD |
| logD -0.21 pH 2; Teòthachd: 25 °C (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logD | -0.21 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | -0.21 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | -0.21 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | -0.22 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | -0.26 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | -0.54 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | -1.26 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | -1.95 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | -0.212±0.585 | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Tomad | 0.13 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.13 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.13 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.13 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.13 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.13 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.14 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.15 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.29 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.5 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 7.2 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.14 g/L | Uisge gun bhùfradh pH 5.68; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 3.7 x 10-4 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.7 x 10-4 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.7 x 10-4 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.7 x 10-4 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.7 x 10-4 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.7 x 10-4 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.8 x 10-4 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 4.2 x 10-4 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 8.0 x 10-4 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 4.2 x 10-3 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 0.020 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd Mhòlar | 3.8 x 10-4 mol/L | Uisge gun bhùfradh pH 5.68; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 361.35 | ||
| pKa | 8.27±0.10 | Teòthachd as searbhaiche: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | Teòthachd as Bunasaiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Suidheachadh | Stòr |
| Dlùths | 1.459±0.06 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
| Meud Molar | 247.5±3.0 cm3/mol | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 7 | (1) ACD | |
| Gabhadairean H | 9 | (1) ACD | |
| Luchd-tabhartais H | 4 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 13 | (1) ACD | |
| logP | -0.212±0.585 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 361.35 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Stòr an t-suidheachaidh |
| Raon Uachdar Pòlach | 128 A2 | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speactra ri fhaighinn
1H NMR
13C NMR
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