C38H37N3O8 Cha deach a shònrachadh fhathast
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 663.72 | - |
| Dlùths (Ro-innse) | 1.304±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(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3
Gàire Isomeric
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8 -12-26,28-15-19-30(47-2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39-22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(3,4,4)
,33+,34+/m0/s1
Iuchair InChI
NZBGRVLZISPURB-LBFZIJHGSA-N
| Togalaichean a tha rim faighinn |
| Bith-eòlasach |
| Togalaichean a tha rim faighinn |
| Ceimigeach |
| Dlùths |
| Lipinski |
| Co-cheangailte ri Structar |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 5250 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 5250 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 5260 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 5260 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 5250 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 5200 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 4720 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2460 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 466 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 96.9 | 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)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 16000 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 16000 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 16000 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 16000 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 16000 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 15800 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 14400 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 7510 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 1420 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 296 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 5.20 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 5.20 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 5.20 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logD | 5.20 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 5.20 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 5.19 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 5.15 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 4.87 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 4.15 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 3.46 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Tomad | 9.3 x 10-6 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.3 x 10-6 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.3 x 10-6 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.3 x 10-6 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.3 x 10-6 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.3 x 10-6 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.3 x 10-6 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.1 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.0 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.1 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 5.1 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.1 x 10-5 g/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 1.4 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-8 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-8 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-8 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-8 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-8 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-8 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.6 x 10-8 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.0 x 10-8 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.6 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 7.7 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.6 x 10-8 mol/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Cuideam Moileciuil | 663.72 | ||
| 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)
Dlùths
| Seilbh | Luach | Suidheachadh | Stòr |
| Dlùths | 1.304±0.06 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
| Meud Molar | 508.6±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)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 13 | (1) ACD | |
| Gabhadairean H | 11 | (1) ACD | |
| Luchd-tabhartais H | 3 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 14 | (1) ACD | |
| logP | 5.198±0.644 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 663.72 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon Uachdar Pòlach | 136 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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